Full list can be found at: https://scholar.google.com/citations?hl=en&user=ISNqR10AAAAJ&view_op=list_works&sortby=title
Title | Cited by | Year |
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Detection of the clinically persistent, pathogenic yeast spp. Candida auris from hospital and municipal wastewater in Miami-Dade County, FloridaK Babler, M Sharkey, S Arenas, A Amirali, C Beaver, S Comerford, …Science of The Total Environment 898, 165459 | 2023 | |
Monkeypox viral nucleic acids detected using both DNA and RNA extraction workflowsME Sharkey, KM Babler, BS Shukla, SM Abelson, B Alsuliman, A Amirali, …Science of the Total Environment 890, 164289 | 3 | 2023 |
SMOKING INDUCES WEE1 EXPRESSION TO PROMOTE DOCETAXEL RESISTANCE IN ESOPHAGEAL ADENOCARCINOMAMO Islam, K Thangaretnam, H Lu, D Peng, M Soutto, W El-Rifai, …Molecular Therapy-Oncolytics | 2023 | |
Correlative Analysis of Wastewater Trends with Clinical Cases and Hospitalizations through Five Dominant Variant Waves of COVID-19Q Zhan, HM Solo-Gabriele, ME Sharkey, A Amirali, CC Beaver, …ACS ES&T Water | 2023 | |
Pan-cancer proteogenomics connects oncogenic drivers to functional statesY Li, E Porta-Pardo, C Tokheim, MH Bailey, TM Yaron, V Stathias, …Cell | 3 | 2023 |
Proteogenomic data and resources for pan-cancer analysisY Li, Y Dou, FDV Leprevost, Y Geffen, AP Calinawan, F Aguet, Y Akiyama, …Cancer Cell 41 (8), 1397-1406 | 5 | 2023 |
Deep learning integrates histopathology and proteogenomics at a pan-cancer levelJM Wang, R Hong, EG Demicco, J Tan, R Lazcano, AL Moreira, Y Li, …Cell Reports Medicine | 2023 | |
An extension of the BioAssay Ontology to include pharmacokinetic/pharmacodynamic terminology for the enrichment of scientific workflowsS Penn, J Lomax, A Karlsson, V Antonucci, CD Zachmann, S Kanza, …Journal of Biomedical Semantics 14 (1), 10 | 2023 | |
Pan-cancer analysis of post-translational modifications reveals shared patterns of protein regulationY Geffen, S Anand, Y Akiyama, TM Yaron, Y Song, JL Johnson, …Cell | 2 | 2023 |
Proteogenomic analysis of chemo-refractory high-grade serous ovarian cancerS Chowdhury, JJ Kennedy, RG Ivey, OD Murillo, N Hosseini, X Song, …Cell 186 (16), 3476-3498. e35 | 2023 | |
Correction: The Genetic Landscape of Ocular Adnexa MALT Lymphoma Reveals Frequent Aberrations in NFAT and MEF2B Signaling PathwaysM Magistri, LE Happ, J Ramdial, XQ Lu, V Stathias, K Kunkalla, N Agarwal, …Cancer Research Communications 3 (8), 1688-1688 | 2023 | |
Diffuse large B‐cell lymphoma cell‐cycle progression requires the cyclin‐G associated kinase (GAK), a novel drug target from machine learning‐enabled phenotypic screeningOB Lightfuss, A Newsam, P Kumar, L Li, A Ghoshal, AY Alaoui, S Schürer, …Hematological Oncology 41, 546-546 | 2023 | |
AI-Assisted chemical probe discovery for the understudied Calcium-Calmodulin Dependent Kinase, PNCKDJ Essegian, V Chavez, R Khurshid, JR Merchan, SC SchürerPLOS Computational Biology 19 (5), e1010263 | 1 | 2023 |
Inhibitors of the notch transcriptional activation complex kinase (“nack”) and methods for use of the sameAJ Capobianco, SC Schürer, X Zhu, TT KelleyUS Patent 11,649,214 | 1 | 2023 |
Reversal of lactate and PD-1–mediated macrophage immunosuppression controls growth of PTEN/p53-deficient prostate cancerK Chaudagar, HM Hieromnimon, R Khurana, B Labadie, T Hirz, S Mei, …Clinical Cancer Research 29 (10), 1952-1968 | 9 | 2023 |
Inhibitors of the notch transcriptional activation complex kinase (” nack”) and methods for use of the sameAJ Capobianco, SC Schúrer, X Zhu, TT KelleyUS Patent App. 17/929,957 | 2023 | |
Degradation rates influence the ability of composite samples to represent 24-hourly means of SARS-CoV-2 and other microbiological target measures in wastewaterKM Babler, ME Sharkey, S Abelson, A Amirali, A Benitez, GA Cosculluela, …Science of the Total Environment 867, 161423 | 8 | 2023 |
A novel chemical attack on Notch-mediated transcription by targeting the NACK ATPaseG Diluvio, TT Kelley, M Lahiry, A Alvarez-Trotta, EM Kolb, E Shersher, …Molecular Therapy-Oncolytics 28, 307-320 | 2023 | |
Predicting COVID-19 cases using SARS-CoV-2 RNA in air, surface swab and wastewater samplesHM Solo-Gabriele, S Kumar, S Abelson, J Penso, J Contreras, KM Babler, …Science of The Total Environment 857, 159188 | 10 | 2023 |
Pharos 2023: an integrated resource for the understudied human proteomeKJ Kelleher, TK Sheils, SL Mathias, JJ Yang, VT Metzger, VB Siramshetty, …Nucleic acids research 51 (D1), D1405-D1416 | 8 | 2023 |
Geospatially-resolved public-health surveillance via wastewater sequencingBT Tierney, J Foox, K Ryon, D Butler, N Damle, BG Young, C Mozsary, …medRxiv, 2023.05. 31.23290781 | 2023 | |
Cellular and molecular effects of PNCK, a non-canonical kinase target in renal cell carcinomaDJ Essegian, V Chavez, F Bustamante, SC Schürer, JR MerchanIscience 25 (12) | 2 | 2022 |
Tyrosine Phosphorylation of CARM1 Promotes Its Enzymatic Activity and Alters Its Target Specificity in Myeloid Neoplasms with Hyperactivated JAK2H Itonaga, AK Mookhtiar, S Greenblatt, F Liu, C Martinez, R Grozovsky, …Blood 140 (Supplement 1), 3021-3022 | 2022 | |
The Cyclin-G Associated Kinase (GAK) Is a Critical Dependency for Cell-Cycle Progression in Diffuse Large B-Cell Lymphoma Associated with Deregulation of the Retinoblastoma …AD Newsam, P Kumar, OB Lightfuss, L Li, A Ghoshal, S Schürer, …Blood 140 (Supplement 1), 2261-2262 | 2022 | |
EPCO-14. ISOSCELES: AN INTEGRATIVE FRAMEWORK FOR THE PREDICTION OF TREATMENT RESISTANT GLIOBLASTOMA CELLSR Suter, A Jermakowicz, V Stathias, L Ruiz, M D’Antuono, S Kaeppeli, …Neuro-oncology (Charlottesville, Va.) 24 (Supplement_7), vii118-vii118 | 2022 | |
First detection of the Monkeypox virus using wastewater-based surveillance in Miami-Dade CountyME Sharkey, KM Babler, SM Abelson, B Alsuliman, A Amirali, … | 6 | 2022 |
A multi-omic analysis of MCF10A cells provides a resource for integrative assessment of ligand-mediated molecular and phenotypic responsesSM Gross, MA Dane, RL Smith, KL Devlin, IC McLean, DS Derrick, …Communications biology 5 (1), 1066 | 8 | 2022 |
Connecting omics signatures and revealing biological mechanisms with iLINCSM Pilarczyk, M Fazel-Najafabadi, M Kouril, B Shamsaei, J Vasiliauskas, …Nature Communications 13 (1), 4678 | 13 | 2022 |
SigCom LINCS: data and metadata search engine for a million gene expression signaturesJE Evangelista, DJB Clarke, Z Xie, A Lachmann, M Jeon, K Chen, …Nucleic acids research 50 (W1), W697-W709 | 17 | 2022 |
Combination venetoclax and selinexor effective in relapsed refractory multiple myeloma with translocation t (11; 14)S Chaudhry, N Nguyen, R Khurana, TM Totiger, S Montoya, J Afaghani, …Cancer Research 82 (12_Supplement), 4067-4067 | 2022 | |
Relationships between SARS-CoV-2 in wastewater and COVID-19 clinical cases and hospitalizations, with and without normalization against indicators of human wasteQ Zhan, KM Babler, ME Sharkey, A Amirali, CC Beaver, MM Boone, …Acs Es&T Water 2 (11), 1992-2003 | 37 | 2022 |
Comparison of electronegative filtration to magnetic bead-based concentration and V2G-qPCR to RT-qPCR for quantifying viral SARS-CoV-2 RNA from wastewaterKM Babler, A Amirali, ME Sharkey, SL Williams, MM Boone, …ACS ES&T Water 2 (11), 2004-2013 | 11 | 2022 |
Cellular And Molecular Effects Of Understudied Kinase Pregnancy-Upregulated Non-Ubiquitous Calcium-Calmodulin Dependent Kinase (PNCK) In Renal Cell CarcinomaDJ Essegian, V Chavez, F Bustamante, SC Schürer, JR MerchanbioRxiv, 2022.05. 09.491212 | 2022 | |
The Clinical Kinase Index (CKI): A user friendly application to prioritize kinases as prospective cancer drug targetsR Khurana, SC SchürerSoftware Impacts 12, 100257 | 1 | 2022 |
COVID-19 Prediction using Genomic Footprint of SARS-CoV-2 in Air, Surface Swab and Wastewater SamplesHM Solo-Gabriele, S Kumar, S Abelson, J Penso, J Contreras, KM Babler, …medRxiv | 4 | 2022 |
Proteomic cellular signatures of kinase inhibitor-induced cardiotoxicityY Xiong, T Liu, T Chen, J Hansen, B Hu, Y Chen, G Jayaraman, S Schürer, …Scientific data 9 (1), 18 | 1 | 2022 |
COVID-19 Prediction using Genomic Footprint of SARS-CoV-2 in Air, Surface Swab and Wastewater Samples (preprint)H Solo-Gabriele, S Kumar, S Abelson, J Penso, J Contreras, K Babler, … | 1 | 2022 |
Metadata record for: Proteomic cellular signatures of kinase inhibitor-induced cardiotoxicityT Liu, J Hansen, T Chen, J Goldfarb, MR Birtwistle, S Schürer, EA Sobie, …figshare Academic Research System | 2022 | |
A multiparametric pharmacogenomic strategy for drug repositioning predicts therapeutic efficacy for glioblastoma cell linesAH Shah, R Suter, P Gudoor, TT Doucet-O’Hare, V Stathias, I Cajigas, …Neuro-oncology advances 4 (1), vdab192 | 1 | 2022 |
A novel strategy for combination of clofarabine and pictilisib is synergistic in gastric cancerS Khalafi, S Zhu, R Khurana, I Lohse, S Giordano, S Corso, H Al-Ali, …Translational oncology 15 (1), 101260 | 3 | 2022 |
A library of induced pluripotent stem cells from clinically well-characterized, diverse healthy human individualsC Schaniel, P Dhanan, B Hu, Y Xiong, T Raghunandan, DM Gonzalez, …Stem cell reports 16 (12), 3036-3049 | 10 | 2021 |
Lessons learned from SARS-CoV-2 measurements in wastewaterME Sharkey, N Kumar, AMA Mantero, KM Babler, MM Boone, …Science of The Total Environment 798, 149177 | 29 | 2021 |
EPCO-18. A MESENCHYMAL CELL POPULATION MEDIATES RESISTANCE TO AURORA KINASE INHIBITORS IN GLIOBLASTOMAR Suter, V Stathias, A Jermakowicz, H Pradhyumnan, M Affer, …Neuro-oncology (Charlottesville, Va.) 23 (Supplement_6), vi5-vi5 | 2021 | |
Multiscale mapping of transcriptomic signatures for cardiotoxic drugsJ Hansen, Y Xiong, P Dhanan, B Hu, AS Yadaw, G Jayaraman, …bioRxiv, 2021.11. 02.466774 | 2021 | |
Discovery of an eIF4A Inhibitor with a Novel Mechanism of ActionCJ Zerio, TA Cunningham, AS Tulino, EA Alimusa, TM Buckley, KT Moore, …Journal of medicinal chemistry 64 (21), 15727-15746 | 7 | 2021 |
The genetic landscape of ocular adnexa MALT lymphoma reveals frequent aberrations in NFAT and MEF2B signaling pathwaysM Magistri, LE Happ, J Ramdial, XQ Lu, V Stathias, K Kunkalla, N Agarwal, …Cancer research communications 1 (1), 1 | 6 | 2021 |
Molecular Dynamics simulations identify tractable lead-like phenyl-piperazine scaffolds as eIF4A1 ATP-competitive inhibitorsDJ Essegian, TA Cunningham, CJ Zerio, E Chapman, J Schatz, …ACS omega 6 (38), 24432-24443 | 2 | 2021 |
Loop-mediated isothermal amplification detection of SARS-CoV-2 and myriad other applicationsKJM Moore, J Cahill, G Aidelberg, R Aronoff, A Bektaş, D Bezdan, …Journal of biomolecular techniques: JBT 32 (3), 228 | 22 | 2021 |
A LINCS microenvironment perturbation resource for integrative assessment of ligand-mediated molecular and phenotypic responsesSM Gross, MA Dane, RL Smith, K Devlin, I McLean, D Derrick, C Mills, …bioRxiv, 2021.08. 06.455429 | 5 | 2021 |
A proteogenomic portrait of lung squamous cell carcinomaS Satpathy, K Krug, PMJ Beltran, SR Savage, F Petralia, C Kumar-Sinha, …Cell 184 (16), 4348-4371. e40 | 129 | 2021 |
Targeting the Notch transcriptional activation complex with a novel PRAG1 inhibitor to attenuate reactive gliosisRA Gallo, TT Kelley, G Dvoriantchikova, SH Lang, AHM Moeyersoms, …Investigative Ophthalmology & Visual Science 62 (8), 207-207 | 2021 | |
Proteogenomic and metabolomic characterization of human glioblastomaLB Wang, A Karpova, MA Gritsenko, JE Kyle, S Cao, Y Li, D Rykunov, …Cancer cell 39 (4), 509-528. e20 | 291 | 2021 |
TCRD and Pharos 2021: mining the human proteome for disease biologyTK Sheils, SL Mathias, KJ Kelleher, VB Siramshetty, DT Nguyen, …Nucleic Acids Research 49 (D1), D1334-D1346 | 90 | 2021 |
COVID-19 Prediction using Genomic Footprint of SARS-CoV-2 in Air, Surface SwabHM Solo-Gabriele, S Kumar, S Abelson, J Penso, J Contreras, KM Babler, …Public Health 18 (9) | 2021 | |
Machine and deep learning approaches for cancer drug repurposingNT Issa, V Stathias, S Schürer, S DakshanamurthySeminars in cancer biology 68, 132-142 | 104 | 2021 |
Integrated proteogenomic characterization across major histological types of pediatric brain cancerF Petralia, N Tignor, B Reva, M Koptyra, S Chowdhury, D Rykunov, A Krek, …Cell 183 (7), 1962-1985. e31 | 164 | 2020 |
The clinical kinase index: a method to prioritize understudied kinases as drug targets for the treatment of cancerD Essegian, R Khurana, V Stathias, SC SchürerCell Reports Medicine 1 (7) | 42 | 2020 |
Multiplex-inhibitor bead mass spectrometry reveals differential kinome signatures in newly diagnosed and recurrent glioblastomaA Jermakowicz, AM Kurimchak, J Sarkaria, R Komotar, ME Ivan, …bioRxiv, 2020.09. 21.306910 | 2020 | |
piNET: a versatile web platform for downstream analysis and visualization of proteomics dataB Shamsaei, S Chojnacki, M Pilarczyk, M Najafabadi, W Niu, C Chen, …Nucleic acids research 48 (W1), W85-W93 | 23 | 2020 |
Identification of DOT1L inhibitors by structure-based virtual screening adapted from a nucleoside-focused libraryGS Gibbons, A Chakraborty, SM Grigsby, AC Umeano, C Liao, …European journal of medicinal chemistry 189, 112023 | 14 | 2020 |
Proteomic cellular signatures of kinase inhibitor-induced cardiotoxicity: Mount Sinai DToxS LINCS Center DatasetY Xiong, T Liu, T Chen, J Hansen, B Hu, Y Chen, G Jayaraman, S Schürer, …bioRxiv, 2020.02. 26.966606 | 1 | 2020 |
LINCS Data Portal 2.0: next generation access point for perturbation-response signaturesV Stathias, J Turner, A Koleti, D Vidovic, D Cooper, M Fazel-Najafabadi, …Nucleic acids research 48 (D1), D431-D439 | 109 | 2020 |
Research techniques made simple: Molecular docking in dermatology-A foray into in silico drug discoveryNT Issa, EV Badiavas, S SchürerJournal of investigative dermatology 139 (12), 2400-2408. e1 | 12 | 2019 |
FAIRshake: toolkit to evaluate the FAIRness of research digital resourcesDJB Clarke, L Wang, A Jones, ML Wojciechowicz, D Torre, KM Jagodnik, …Cell systems 9 (5), 417-421 | 40 | 2019 |
Identification of Tractable Drug-like eIF4Al Inhibitors with Potent Anti-Tumor ActivityTA Cunningham, D Essegian, S Schürer, JH SchatzBlood 134, 5760 | 2019 | |
COMP-16. COMPREHENSIVE TRANSCRIPTOMIC ANALYSIS OF SINGLE CELLS FROM RECURRENT AND PRIMARY GLIOBLASTOMA TO PREDICT CELL-TYPE SPECIFIC THERAPEUTICSR Suter, V Stathias, A Jermakowicz, A Semonche, M Ivan, R Komotar, …Neuro-Oncology 21 (Suppl 6), vi64 | 2019 | |
GENE-36. INTEGRATING TRANSCRIPTOMICS AND KINOMICS IDENTIFIES SYNERGISTIC DRUG COMBINATIONS FOR GLIOBLASTOMA TREATMENTA Jermakowicz, V Stathias, R Suter, J Duncan, S Schürer, N AyadNeuro-Oncology 21 (Suppl 6), vi105 | 2019 | |
Connecting omics signatures of diseases, drugs, and mechanisms of actions with iLINCSM Pilarczyk, M Kouril, B Shamsaei, J Vasiliauskas, W Niu, N Mahi, …BioRxiv, 826271 | 38 | 2019 |
Notch signaling pathway inhibition in the specification of human retinal ganglion cells from induced pluripotent stem cell derived retinal organoidsZA Torres, T Kelley, S Schurer, D PelaezInvestigative Ophthalmology & Visual Science 60 (9), 3330-3330 | 2019 | |
The dark cancer kinome-untapped opportunities for the development of novel drugsDJ Essegian, R Khurana, V Stathias, V Chavez, JR Merchan, S SchürerCancer Research 79 (13_Supplement), 5103-5103 | 2019 | |
FAIRshake: toolkit to evaluate the findability, accessibility, interoperability, and reusability of research digital resourcesDJB Clarke, L Wang, A Jones, ML Wojciechowicz, D Torre, KM Jagodnik, …BioRxiv, 657676 | 13 | 2019 |
Improving the utility of the Tox21 dataset by deep metadata annotations and constructing reusable benchmarked chemical reference signaturesDJ Cooper, S SchürerMolecules 24 (8), 1604 | 3 | 2019 |
OSCI: standardized stem cell ontology representation and use cases for stem cell investigationY He, WD Duncan, DJ Cooper, J Hansen, R Iyengar, E Ong, K Walker, …BMC bioinformatics 20, 237-247 | 6 | 2019 |
FAIRsharing as a community approach to standards, repositories and policiesSA Sansone, P McQuilton, P Rocca-Serra, A Gonzalez-Beltran, M Izzo, …Nature biotechnology 37 (4), 358-367 | 236 | 2019 |
Design and optimization of a first-in-class NACK inhibitor: A novel path to notch inhibitionT Kelley, X Zhu, A Capobianco, S SchurerABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257 | 2019 | |
Novel Curcumin Inspired Bis-Chalcone Promotes Endoplasmic Reticulum Stress and Glioblastoma Neurosphere Cell DeathL Sansalone, EA Veliz, NG Myrthil, V Stathias, W Walters, II Torrens, …Cancers 11 (3), 357 | 28 | 2019 |
Use of machine learning to identify novel, behaviorally active antagonists of the insect odorant receptor co-receptor (Orco) subunitD Kepchia, P Xu, R Terryn, A Castro, SC Schürer, WS Leal, CW LuetjeScientific reports 9 (1), 4055 | 20 | 2019 |
DrugCentral 2018: an updateO Ursu, J Holmes, CG Bologa, JJ Yang, SL Mathias, V Stathias, …Nucleic acids research 47 (D1), D963-D970 | 108 | 2019 |
Kinome-wide activity classification of small molecules by deep learningBK Allen, NG Ayad, SC SchürerbioRxiv, 512459 | 5 | 2019 |
How to Develop a Drug Target Ontology: KNowledge Acquisition and Representation Methodology (KNARM)H Küçük McGinty, U Visser, S SchürerBioinformatics and Drug Discovery, 49-69 | 4 | 2019 |
Drug and disease signature integration identifies synergistic combinations in glioblastomaV Stathias, AM Jermakowicz, ME Maloof, M Forlin, W Walters, RK Suter, …Nature communications 9 (1), 5315 | 82 | 2018 |
Far away from the lamppostTI Oprea, L Jan, GL Johnson, BL Roth, A Ma’ayan, S Schürer, …PLoS biology 16 (12), e3000067 | 13 | 2018 |
A gene family-led meta-analysis of drug-target interactionsQ Cheng, S Mehta, S Schürer2018 IEEE International Conference on Bioinformatics and Biomedicine (BIBM … | 1 | 2018 |
Computational Identification of Tractable Drug-like Inhibitors of eIF4A1D Essegian, TA Cunningham, JH Schatz, S SchurerBlood 132, 5802 | 2018 | |
CARM1 Inhibition: Evaluation of Response and Efficacy in Acute Myeloid LeukemiaAK Mookhtiar, S Greenblatt, N Man, D Karl, V Stathias, S Schurer, …Blood 132, 2719 | 1 | 2018 |
Polypharmacology or promiscuity? Structural interactions of resveratrol with its bandwagon of targetsU Saqib, TT Kelley, SK Panguluri, D Liu, R Savai, MS Baig, SC SchürerFrontiers in pharmacology 9, 1201 | 40 | 2018 |
Data standards, formal ontologies and software tools to facilitate integration, classification and modeling of drug discovery dataS Schurer, J Zheng, J Turner, A KoletiABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256 | 2018 | |
OntoloBridge: A semi-automated ontology update request systemJ Turner, A Clark, H McGinty, B Bunin, S SchurerABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256 | 2018 | |
SynergySeq-Integration of disease and perturbation gene expression data to prioritize synergistic drug combinations in cancerS Schurer, V Stathias, AMG Jermakowicz, N AyadABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256 | 2018 | |
Sustainable data and metadata management at the BD2K-LINCS Data Coordination and Integration CenterV Stathias, A Koleti, D Vidović, DJ Cooper, KM Jagodnik, R Terryn, …Scientific data 5 (1), 1-14 | 26 | 2018 |
CARM1 is essential for myeloid leukemogenesis but dispensable for normal hematopoiesisSM Greenblatt, N Man, PJ Hamard, T Asai, D Karl, C Martinez, D Bilbao, …Cancer cell 33 (6), 1111-1127. e5 | 55 | 2018 |
Unexplored therapeutic opportunities in the human genomeTI Oprea, CG Bologa, S Brunak, A Campbell, GN Gan, A Gaulton, …Nature reviews Drug discovery 17 (5), 317-332 | 313 | 2018 |
CEDAR: semantic web technology to support open scienceMA Musen, SA Sansone, KH Cheung, SH Kleinstein, M Crafts, …Companion Proceedings of the The Web Conference 2018, 427-428 | 7 | 2018 |
The library of integrated network-based cellular signatures NIH program: system-level cataloging of human cells response to perturbationsAB Keenan, SL Jenkins, KM Jagodnik, S Koplev, E He, D Torre, Z Wang, …Cell systems 6 (1), 13-24 | 359 | 2018 |
Data Portal for the Library of Integrated Network-based Cellular Signatures (LINCS) program: integrated access to diverse large-scale cellular perturbation response dataA Koleti, R Terryn, V Stathias, C Chung, DJ Cooper, JP Turner, D Vidović, …Nucleic acids research 46 (D1), D558-D566 | 154 | 2018 |
Drug repositioning in glioblastoma: a pathway perspectiveSK Tan, A Jermakowicz, AK Mookhtiar, CB Nemeroff, SC Schürer, …Frontiers in pharmacology, 218 | 87 | 2018 |
Ontological representation, integration, and analysis of LINCS cell line cells and their cellular responsesE Ong, J Xie, Z Ni, Q Liu, S Sarntivijai, Y Lin, D Cooper, R Terryn, …BMC bioinformatics 18 (17), 43-53 | 13 | 2017 |
Drug target ontology to classify and integrate drug discovery dataY Lin, S Mehta, H Küçük-McGinty, JP Turner, D Vidovic, M Forlin, A Koleti, …Journal of biomedical semantics 8, 1-16 | 65 | 2017 |
Learning reference-enriched approach towards large scale active ontology alignment and integrationQ Cheng, O Ursu, TI Oprea, S Schurer2017 IEEE International Conference on Bioinformatics and Biomedicine (BIBM … | 1 | 2017 |
The ontology reference model for visual selectivity analysis in drug-target interactionsQ Cheng, FA Lopez, C Duran, C Camarillo, TI Oprea, S Schurer2017 IEEE International Conference on Bioinformatics and Biomedicine (BIBM … | 2 | 2017 |
From flamingo dance to (desirable) drug discovery: a nature-inspired approachA Sánchez-Rodríguez, Y Pérez-Castillo, SC Schürer, O Nicolotti, …Drug discovery today 22 (10), 1489-1502 | 27 | 2017 |
Identification of a novel class of BRD4 inhibitors by computational screening and binding simulationsBK Allen, S Mehta, SWJ Ember, JY Zhu, E Schönbrunn, NG Ayad, …ACS omega 2 (8), 4760-4771 | 33 | 2017 |
TIN-X: target importance and novelty explorerDC Cannon, JJ Yang, SL Mathias, O Ursu, S Mani, A Waller, SC Schürer, …Bioinformatics 33 (16), 2601-2603 | 24 | 2017 |
Identification of therapeutic combinations in glioblastoma using personalized gene expression networksV Stathias, M Forlin, B Allen, S Schürer, NG AyadCancer Research 77 (13_Supplement), 416-416 | 2017 | |
Developing a framework for digital objects in the Big Data to Knowledge (BD2K) commons: Report from the Commons Framework Pilots workshopKM Jagodnik, S Koplev, SL Jenkins, L Ohno-Machado, B Paten, …Journal of biomedical informatics 71, 49-57 | 28 | 2017 |
Systemic QSAR and phenotypic virtual screening: chasing butterflies in drug discoveryM Cruz-Monteagudo, S Schürer, E Tejera, Y Perez-Castillo, …Drug discovery today 22 (7), 994-1007 | 35 | 2017 |
Pharos: collating protein information to shed light on the druggable genomeDT Nguyen, S Mathias, C Bologa, S Brunak, N Fernandez, A Gaulton, …Nucleic acids research 45 (D1), D995-D1002 | 225 | 2017 |
From flamingo dance toMNDS Cordeiro, E Tejera, JL Medina-Franco, M Cruz-Monteagudo | 2017 | |
The smartAPI ecosystem for making web APIs FAIRS Dastgheib, T Whetzel, A Zaveri, C Afrasiabe, P Assis, P Availlach, …ISWC2017, the 16e International Semantic Web Conference 1931, 1-4 | 10 | 2017 |
smartAPI: towards a more intelligent network of Web APIsM Dumontier, S Dastgheib, T Whetzel, P Assisi, P Aviilach, K Jagodnik, …the 25th conference on Intelligent Systems for Molecular Biology and the … | 1 | 2017 |
Abstract A33: Discovery of novel anti-cancer therapeutic agents for Notch activation complex kinase (NACK) targeting the Notch pathwayX Zhu, Z Wang, K Jin, L Astudillo, W Zhou, J Chen, P Buchwald, …Clinical Cancer Research 23 (1_Supplement), A33-A33 | 2017 | |
Combinatorial compound stratification based on integration of LINCS, TCGA and PubChem dataV Stathias, B Allen, J Clarke, NG Ayad, S SchürerCancer Research 76 (14_Supplement), 775-775 | 2016 | |
High quality, small molecule-activity datasets for kinase research [version 2; referees: 2 approved]R Sharma, SC Schürer, SM MuskalVolume | 1 | 2016 |
research [version 3; peer review: 2 approved]R Sharma, SC Schürer, SM Muskal | 2016 | |
research [version 1; referees: 2 approved]R Sharma, SC Schürer, SM Muskal | 2016 | |
Identification of a novel class of BRD4 inhibitors by high-throughput computational structural biologyB Allen, S Mehta, N Ayad, S SchuererABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251 | 2016 | |
Ontologies for classifying and modeling drug discovery dataS Schuerer, AY Lin, S Mehta, HK McGinty, Q Cheng, A Koleti, N Zadeh, …ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251 | 2016 | |
Community training and outreach activities of the BD2K-LINCS data coordination and integration center (DCIC)S Jenkins, S Schürer, M Medvedovic, AM AyanF1000Research | 2016 | |
The Cell Line Ontology Integration and Analysis of the Knowledge of LINCS Cell Lines.E Ong, J Xie, Z Ni, Q Liu, Y Lin, V Stathias, C Chung, SC Schürer, Y HeICBO/BioCreative | 2016 | |
Building Concordant Ontologies for Drug Discovery.H Küçük-McGinty, S Mehta, Y Lin, N Nabizadeh, V Stathias, D Vidovic, …ICBO/BioCreative | 1 | 2016 |
High quality, small molecule-activity datasets for kinase research [version 1; referees: awaiting peer review]R Sharma, SC Schürer, SM Muskal | 2016 | |
High quality, small molecule-activity datasets for kinase researchR Sharma, SC Schürer, SM MuskalF1000Research 5 | 21 | 2016 |
Selective targeting of extracellular insulin-degrading enzyme by quasi-irreversible thiol-modifying inhibitorsSO Abdul-Hay, TD Bannister, H Wang, MD Cameron, TR Caulfield, …ACS chemical biology 10 (12), 2716-2724 | 24 | 2015 |
Noribogaine is a G-protein biased κ-opioid receptor agonistEL Maillet, N Milon, MD Heghinian, J Fishback, SC Schürer, …Neuropharmacology 99, 675-688 | 61 | 2015 |
Large-scale computational screening identifies first in class multitarget inhibitor of EGFR kinase and BRD4BK Allen, S Mehta, SWJ Ember, E Schonbrunn, N Ayad, SC SchürerScientific reports 5 (1), 16924 | 65 | 2015 |
Discovery of small molecule insulin-degrading enzyme inhibitorsH Wang, T Bannister, S Abdul-Hay, M Leissring, F Madoux, S Schurer, …ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250 | 2015 | |
Ligand-and structure-based virtual screening to discover dual EGFR and BRD4 inhibitorsB Allen, S Mehta, N Ayad, S SchürerCancer Research 75 (15_Supplement), 3690-3690 | 2 | 2015 |
An integrated bioinformatics approach for identifying patient-specific gene networks and novel therapeutic targets in glioblastomaV Stathias, C Pastori, R Komotar, M Zhang, S Schürer, J Clarke, NG AyadCancer Research 75 (15_Supplement), 65-65 | 2015 | |
Screening of cell cycle fusion proteins to identify kinase signaling networksM Trojanowsky, D Vidovic, S Simanski, C Penas, S Schurer, NG AyadCell Cycle 14 (8), 1274-1281 | 1 | 2015 |
Noribogaine is a Mixed Agonist/Antagonist Opioid Ligand with Profound Functional SelectivityE Maillet, N Milon, J Fishback, S Schürer, M Heghinian, N Garamszegi, …The FASEB journal 29, LB505 | 2015 | |
Using the BioAssay Ontology for analyzing high-throughput screening dataL Zander Balderud, D Murray, N Larsson, U Vempati, SC Schürer, …Journal of biomolecular screening 20 (3), 402-415 | 15 | 2015 |
Epigenetic pathways and glioblastoma treatment: insights from signaling cascadesBK Allen, V Stathias, ME Maloof, D Vidovic, EF Winterbottom, …Journal of cellular biochemistry 116 (3), 351-363 | 23 | 2015 |
GSK3 inhibitors stabilize Wee1 and reduce cerebellar granule cell progenitor proliferationC Penas, JK Mishra, SD Wood, SC Schürer, WR Roush, NG AyadCell Cycle 14 (3), 417-424 | 15 | 2015 |
BioAssay Research Database (BARD): chemical biology and probe-development enabled by structured metadata and result typesEA Howe, A de Souza, DL Lahr, S Chatwin, P Montgomery, BR Alexander, …Nucleic acids research 43 (D1), D1163-D1170 | 25 | 2015 |
CLO: the cell line ontologyS Sarntivijai, Y Lin, Z Xiang, TF Meehan, AD Diehl, UD Vempati, …Journal of biomedical semantics 5 (1), 1-10 | 109 | 2014 |
DD-01LIGAND-AND STRUCTURE-BASED VIRTUAL SCREENING TO DISCOVER POLYPHARMACOLOGICAL DUAL EGFR AND BRD4 INHIBITORSB Allen, S Mehta, N Ayad, S SchürerNeuro-Oncology 16 (Suppl 5), v60 | 1 | 2014 |
Large-scale integration of small molecule-induced genome-wide transcriptional responses, Kinome-wide binding affinities and cell-growth inhibition profiles reveal global trends …D Vidović, A Koleti, SC SchürerFrontiers in genetics 5, 342 | 83 | 2014 |
Fast and accurate semantic annotation of bioassays exploiting a hybrid of machine learning and user confirmationAM Clark, BA Bunin, NK Litterman, SC Schürer, U VisserPeerJ 2, e524 | 25 | 2014 |
Allosteric inhibition of the IRE1α RNase preserves cell viability and function during endoplasmic reticulum stressR Ghosh, L Wang, ES Wang, BGK Perera, A Igbaria, S Morita, K Prado, …Cell 158 (3), 534-548 | 431 | 2014 |
Casein kinase 1δ-dependent Wee1 protein degradationC Penas, V Ramachandran, S Simanski, C Lee, F Madoux, RJ Rahaim, …Journal of Biological Chemistry 289 (27), 18893-18903 | 25 | 2014 |
An overview of the challenges in designing, integrating, and delivering BARD: a public chemical-biology resource and query portal for multiple organizations, locations, and …A de Souza, JA Bittker, DL Lahr, S Brudz, S Chatwin, TI Oprea, A Waller, …Journal of biomolecular screening 19 (5), 614-627 | 27 | 2014 |
Evolving BioAssay Ontology (BAO): modularization, integration and applicationsS Abeyruwan, UD Vempati, H Küçük-McGinty, U Visser, A Koleti, A Mir, …Journal of biomedical semantics 5 (1), 1-22 | 93 | 2014 |
Metadata standard and data exchange specifications to describe, model, and integrate complex and diverse high-throughput screening data from the library of integrated network …UD Vempati, C Chung, C Mader, A Koleti, N Datar, D Vidović, D Wrobel, …Journal of biomolecular screening 19 (5), 803-816 | 81 | 2014 |
ML345, a small-molecule inhibitor of the insulin-degrading enzyme (IDE)TD Bannister, H Wang, SO Abdul-Hay, A Masson, F Madoux, J Ferguson, …Probe Reports from the NIH Molecular Libraries Program [Internet] | 16 | 2014 |
Metadata Standard and Data Exchange Specifications to Describe, Model, and Integrate Complex andJL Muhlich, G Berriz, CH Benes, A Subramanian, A Pillai, CE Shamu, …Journal of Biomolecular Screening 1, 14 | 2014 | |
Uma D. Vempati1, Caty Chung1, Chris Mader1, Amar Koleti1, Nakul Datar1, Dušica Vidovic, David Wrobel2, Sean Erickson2, Jeremy L. Muhlich3, Gabriel Berriz3, Cyril H. Benes4 …D Vidovic, D Wrobel, S Erickson, JL Muhlich, G Berriz, CH Benes, …Journal of Biomolecular Screening 1, 14 | 2014 | |
GPCR ontology: development and application of a G protein-coupled receptor pharmacology knowledge frameworkMJ Przydzial, B Bhhatarai, A Koleti, U Vempati, SC SchürerBioinformatics 29 (24), 3211-3219 | 41 | 2013 |
Data curation and formal BioAssay Ontology (BAO)-based annotations of the DrugMatrix enable bioactivity-based target-relationship analysis and demonstrate incorporation of …T Oprea, S Schurer, A Mir, U Vempati, J Yang, O Ursu, C BologaABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 246 | 2013 | |
Semantic annotation of PubChem databasesG Fu, C Batchelor, M Dumontier, J Hastings, H Kuecuek, SC Schurer, … | 2013 | |
A sphingosine 1-phosphate receptor 2 selective allosteric agonistH Satsu, MT Schaeffer, M Guerrero, A Saldana, C Eberhart, P Hodder, …Bioorganic & medicinal chemistry 21 (17), 5373-5382 | 59 | 2013 |
Development of highly selective casein kinase 1d/1e (CK1d/e) inhibitors with potent antiproliferative propertiesM Bibian, RJ Rahaim, JY Choi, Y Noguchi, S Schürer, W Chen, …Bioorg Med Chem Lett 23 (15), 4374-4380 | 11 | 2013 |
Development of highly selective casein kinase 1δ/1ε (CK1δ/ε) inhibitors with potent antiproliferative propertiesM Bibian, RJ Rahaim, JY Choi, Y Noguchi, S Schürer, W Chen, …Bioorganic & medicinal chemistry letters 23 (15), 4374-4380 | 80 | 2013 |
A chemical proteomics approach to profiling the ATP-binding proteome of Mycobacterium tuberculosisLM Wolfe, U Veeraraghavan, S Idicula-Thomas, S Schürer, K Wennerberg, …Molecular & cellular proteomics 12 (6), 1644-1660 | 51 | 2013 |
Chemical interrogation of the neuronal kinome using a primary cell-based screening assayH Al-Ali, SC Schürer, VP Lemmon, JL BixbyACS chemical biology 8 (5), 1027-1036 | 39 | 2013 |
BioAssay Research Database: A platform to support the collection, management, and analysis of chemical biology dataR Guha, D Lahr, J Bittker, TDY Chung, M Southern, S Chatwin, JJ Yang, …ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245 | 2013 | |
ML328: a novel dual inhibitor of bacterial AddAB and RecBCD helicase-nuclease DNA repair enzymesTD Bannister, R Nair, T Spicer, VF Vega, C Eberhart, BA Mercer, …Probe Reports from the NIH Molecular Libraries Program [Internet] | 4 | 2013 |
Identification of small molecule inhibitors of Wee1 degradation and mitotic entryS Simanski, F Madoux, RJ Rahaim, P Chase, S Schurer, M Cameron, …Probe Reports from the NIH Molecular Libraries Program [Internet] | 3 | 2013 |
Potent anti-diabetic actions of a novel non-agonist PPARγ ligand that blocks Cdk5-mediated phosphorylationTM Kamenecka, SA Busby, N Kumar, JH Choi, AS Banks, D Vidovic, …Probe Reports from the NIH Molecular Libraries Program [Internet] | 16 | 2013 |
Kinome-wide activity modeling from diverse public high-quality data setsSC Schürer, SM MuskalJournal of chemical information and modeling 53 (1), 27-38 | 58 | 2013 |
Tu1894 Ultrahigh-Throughput Screening Strategies for Identification of Small-Molecule Compounds That Target the Colon Cancer Oncogene KrüPpel-Like Factor 5A Bialkowska, ML Crisp, TD Bannister, Y He, S Chowdhury, S Schürer, …Gastroenterology (New York, NY 1943) 144 (5), S-874-S-874 | 2013 | |
Novel Selective Allosteric and Bitopic Ligands for the S1P3 ReceptorE Jo, B Bhhatarai, E Repetto, M Guerrero, S Riley, SJ Brown, Y Kohno, …ACS chemical biology 7 (12), 1975-1983 | 61 | 2012 |
Novel kinase inhibitors by reshuffling ligand functionalities across the human kinomeD Vidović, SM Muskal, SC SchürerJournal of chemical information and modeling 52 (12), 3107-3115 | 5 | 2012 |
Divergent allosteric control of the IRE1α endoribonuclease using kinase inhibitorsL Wang, BGK Perera, SB Hari, B Bhhatarai, BJ Backes, MA Seeliger, …Nature chemical biology 8 (12), 982-989 | 219 | 2012 |
Formalization, annotation and analysis of diverse drug and probe screening assay datasets using the BioAssay Ontology (BAO)UD Vempati, MJ Przydzial, C Chung, S Abeyruwan, A Mir, K Sakurai, …PloS one 7 (11), e49198 | 65 | 2012 |
Computer Aided Drug Design & QSARSM Muskal, SC Schurer | 2012 | |
Knowledge-based characterization of chemistry space and visualizationB Bhhatarai, S SchurerABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244 | 2012 | |
Exploratory computational assessment of possible binding modes for small molecule inhibitors of the CD40–CD154 co-stimulatory interactionL Ganesan, D Vidović, SC Schürer, P BuchwaldDie Pharmazie-An International Journal of Pharmaceutical Sciences 67 (5 … | 7 | 2012 |
Crystal structure of a lipid G protein–coupled receptorMA Hanson, CB Roth, E Jo, MT Griffith, FL Scott, G Reinhart, H Desale, …Science 335 (6070), 851-855 | 781 | 2012 |
Compound Profiling with High-Content Screening MethodologyT Mayer, S SchurerChemical Genomics, 215 | 2012 | |
Allosteric control of the IRE1 alpha endoribonuclease using kinase inhibitors.L Wang, G Perera, S Hari, B Bhhatarai, B Backes, M Seeliger, S Schurer, …MOLECULAR BIOLOGY OF THE CELL 23 | 2012 | |
Development and Applications of the Bioassay Ontology (BAO) to Describe and Categorize High-Throughput AssaysUD Vempati, SC SchürerEli Lilly & Company and the National Center for Advancing Translational … | 6 | 2012 |
Discovery and optimization of indoles and 7-azaindoles as Rho kinase (ROCK) inhibitors (part-I)S Chowdhury, EH Sessions, JR Pocas, W Grant, T Schröter, L Lin, C Ruiz, …Bioorganic & medicinal chemistry letters 21 (23), 7107-7112 | 40 | 2011 |
BioAssay Ontology (BAO): a semantic description of bioassays and high-throughput screening resultsU Visser, S Abeyruwan, U Vempati, RP Smith, V Lemmon, SC SchürerBMC bioinformatics 12 (1), 1-16 | 135 | 2011 |
Identification of small-molecule inhibitors of the colorectal cancer oncogene Krüppel-like factor 5 expression by ultrahigh-throughput screeningAB Bialkowska, M Crisp, T Bannister, Y He, S Chowdhury, S Schürer, …Molecular cancer therapeutics 10 (11), 2043-2051 | 52 | 2011 |
Antidiabetic actions of a non-agonist PPARγ ligand blocking Cdk5-mediated phosphorylationJH Choi, AS Banks, TM Kamenecka, SA Busby, MJ Chalmers, N Kumar, …Nature 477 (7365), 477-481 | 566 | 2011 |
Small molecule–mediated activation of the integrin CD11b/CD18 reduces inflammatory diseaseD Maiguel, MH Faridi, C Wei, Y Kuwano, KM Balla, D Hernandez, …Science signaling 4 (189), ra57-ra57 | 131 | 2011 |
Distinct functional and conformational states of the human lymphoid tyrosine phosphatase catalytic domain can be targeted by choice of the inhibitor chemotypeD Vidović, Y Xie, A Rinderspacher, SX Deng, DW Landry, C Chung, …Journal of computer-aided molecular design 25, 873-883 | 2 | 2011 |
SMARTNames: a new framework to organize chemical structural information based on chemically relevant functional groupsB Bhhatarai, S SchurerABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242 | 2 | 2011 |
Cell Line Ontology: Redesigning the Cell Line Knowledgebase to Aid Integrative Translational Informatics.S Sarntivijai, Z Xiang, TF Meehan, AD Diehl, U Vempati, SC Schürer, …ICBO 833, 25-32 | 22 | 2011 |
Computational modeling of substrate specificity and catalysis of the β-secretase (BACE1) enzymeA Barman, S Schürer, R PrabhakarBiochemistry 50 (20), 4337-4349 | 57 | 2011 |
Current and Future Challenges for Collaborative Computational Technologies for the Life SciencesAJ Williams, RJG Arnold, C Neylon, RW Spencer, S Schürer, S EkinsCollaborative computational technologies for biomedical research, 491-518 | 6 | 2011 |
Suppression of TH17 differentiation and autoimmunity by a synthetic ROR ligandLA Solt, N Kumar, P Nuhant, Y Wang, JL Lauer, J Liu, MA Istrate, …Nature 472 (7344), 491-494 | 560 | 2011 |
Academic cross-fertilization by public screening yields a remarkable class of protein phosphatase methylesterase-1 inhibitorsDA Bachovchin, JT Mohr, AE Speers, C Wang, JM Berlin, TP Spicer, …Proceedings of the National Academy of Sciences 108 (17), 6811-6816 | 118 | 2011 |
Organic Synthesis Toward Small-Molecule Probes and Drugs Special Feature: Academic cross-fertilization by public screening yields a remarkable class of protein phosphatase …DA Bachovchin, JT Mohr, AE Speers, C Wang, JM Berlin, TP Spicer, …Proceedings of the National Academy of Science 108 (17), 6811-6816 | 5 | 2011 |
BioAssay ontology annotations facilitate cross-analysis of diverse high-throughput screening data setsSC Schürer, U Vempati, R Smith, M Southern, V LemmonJournal of biomolecular screening 16 (4), 415-426 | 61 | 2011 |
Small molecule inhibitors of Wee1 degradation and mitotic entryF Madoux, J Mishra, BA Mercer, N Ayad, W Roush, P Hodder, HR RosenProbe Reports from the NIH Molecular Libraries Program [Internet] | 4 | 2011 |
Inhibition of lymphoid tyrosine phosphatase by benzofuran salicylic acidsT Vang, Y Xie, WH Liu, D Vidović, Y Liu, S Wu, DH Smith, …Journal of medicinal chemistry 54 (2), 562-571 | 39 | 2011 |
A Combined Ligand‐and Structure‐Based Virtual Screening Protocol Identifies Submicromolar PPARγ Partial AgonistsD Vidović, SA Busby, PR Griffin, SC SchürerChemMedChem 6 (1), 94-103 | 51 | 2011 |
Bioassay Ontology to Describe High-Throughput Screening Assays and their Results.U Vempati, U Visser, S Abeyruwan, K Sakurai, M Przydzial, C Chung, …ICBO | 2 | 2011 |
Tetrahydroisoquinoline derivatives as highly selective and potent Rho kinase inhibitorsX Fang, Y Yin, YT Chen, L Yao, B Wang, MD Cameron, L Lin, S Khan, …Journal of medicinal chemistry 53 (15), 5727-5737 | 66 | 2010 |
Discovery of potent and selective urea-based ROCK inhibitors and their effects on intraocular pressure in ratsY Yin, MD Cameron, L Lin, S Khan, T Schröter, W Grant, J Pocas, …ACS medicinal chemistry letters 1 (4), 175-179 | 40 | 2010 |
Identification of the putative drug binding site for novel agonists of the integrin CD11b/CD18DG Stoub, V Gupta, M Faridi, D Maiguel, C Barth, S SchurerThe FASEB Journal 24, 527.5-527.5 | 2010 | |
High-throughput screening based identification of small molecule antagonists of integrin CD11b/CD18 ligand bindingMH Faridi, D Maiguel, BT Brown, E Suyama, CJ Barth, M Hedrick, …Biochemical and biophysical research communications 394 (1), 194-199 | 11 | 2010 |
Phenotypic profiling of bioactive libraries using primary neuronsO Gutierrez Arenas, H Ali-Ali, S Schuerer, J Bixby, V LemmonCold Spring Harbour Meeting on Automated Imaging and High-throughput Phenotyping | 2010 | |
BAOSearch: a semantic web application for biological screening and drug discovery researchS Abeyruwan, C Chung, N Datar, F Gayanilo, A Koleti, V Lemmon, …Semantic Web Challenge, 9th International Semantic Web Conference (ISWC) | 4 | 2010 |
PrOntoLearn: unsupervised lexico-semantic ontology generation using probabilistic methodsS AbeyruwanUniversity of Miami | 8 | 2010 |
14 Screening InformaticsSC Schürer, NF TsinoremasA Practical Guide to Assay Development and High-Throughput Screening in Drug … | 3 | 2009 |
Identification of novel agonists of the integrin CD11b/CD18MH Faridi, D Maiguel, CJ Barth, D Stoub, R Day, S Schürer, V GuptaBioorganic & medicinal chemistry letters 19 (24), 6902-6906 | 28 | 2009 |
Benzothiazoles as Rho-associated kinase (ROCK-II) inhibitorsY Yin, L Lin, C Ruiz, MD Cameron, J Pocas, W Grant, T Schröter, W Chen, …Bioorganic & medicinal chemistry letters 19 (23), 6686-6690 | 49 | 2009 |
Knowledge-Based Characterization of Similarity Relationships in the Human Protein− Tyrosine Phosphatase Family for Rational Inhibitor DesignD Vidovic, SC SchürerJournal of medicinal chemistry 52 (21), 6649-6659 | 16 | 2009 |
Discovery of potent non-urea inhibitors of soluble epoxide hydrolaseY Xie, Y Liu, G Gong, DH Smith, F Yan, A Rinderspacher, Y Feng, Z Zhu, …Bioorganic & medicinal chemistry letters 19 (8), 2354-2359 | 34 | 2009 |
Potent inhibitors of Huntingtin protein aggregation in a cell-based assayA Rinderspacher, ML Cremona, Y Liu, SX Deng, Y Xie, G Gong, N Aulner, …Bioorganic & medicinal chemistry letters 19 (6), 1715-1717 | 16 | 2009 |
Discovery of novel small molecule cell type-specific enhancers of NF-κB nuclear translocationG Gong, Y Xie, Y Liu, A Rinderspacher, SX Deng, Y Feng, Z Zhu, Y Tang, …Bioorganic & medicinal chemistry letters 19 (4), 1191-1194 | 9 | 2009 |
Kinome-wide comparison of small molecule activity predictorsfrom diverse high-quality dataS Schürer, R Sharma, SM MuskalCICSJ bulletin 27 (4), 87-87 | 2009 | |
Benzimidazole-and benzoxazole-based inhibitors of Rho kinaseEH Sessions, Y Yin, TD Bannister, A Weiser, E Griffin, J Pocas, …Bioorganic & medicinal chemistry letters 18 (24), 6390-6393 | 103 | 2008 |
Chroman-3-amides as potent Rho kinase inhibitorsYT Chen, TD Bannister, A Weiser, E Griffin, L Lin, C Ruiz, MD Cameron, …Bioorganic & medicinal chemistry letters 18 (24), 6406-6409 | 56 | 2008 |
Discovery of substituted 4-(pyrazol-4-yl)-phenylbenzodioxane-2-carboxamides as potent and highly selective Rho kinase (ROCK-II) inhibitorsY Feng, Y Yin, A Weiser, E Griffin, MD Cameron, L Lin, C Ruiz, …Journal of medicinal chemistry 51 (21), 6642-6645 | 97 | 2008 |
PrOntoLearn: Unsupervised lexico-semantic ontology generation using probabilistic methodsS Abeyruwan, U Visser, V Lemmon, S SchürerInternational Workshop on Uncertainty Reasoning for the Semantic Web, 217-236 | 6 | 2008 |
COMP 26-Exercising receptor-site similarity: From off-target identification to scaffold hoppingSM Muskal, SC Schurer, J Danzer, K HamblyABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 236 | 2008 | |
COMP 48-Surveying ligand-and target-based similarities within the KinomeSC Schurer, K Hambly, J Danzer, SM MuskalABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 236 | 2008 | |
Ligand-Binding Pocket Shape Differences between Sphingosine 1-Phosphate (S1P) Receptors S1P1 and S1P3 Determine Efficiency of Chemical Probe …SC Schürer, SJ Brown, PJ Gonzalez-Cabrera, MT Schaeffer, …ACS chemical biology 3 (8), 486-498 | 71 | 2008 |
Ligand-binding pocket shape differences between S1P1 and S1P3 determine efficiency of chemical probe identification by uHTSSC Schürer, SJ Brown, PG Cabrera, MT Schaeffer, J Chapman, E Jo, …ACS chemical biology 3 (8), 486 | 2 | 2008 |
Utilizing high throughput screening data for predictive toxicology models: protocols and application to MLSCN assaysR Guha, SC SchürerJournal of computer-aided molecular design 22, 367-384 | 52 | 2008 |
Discovery of a novel submicromolar inhibitor of the lymphoid specific tyrosine phosphataseY Xie, Y Liu, G Gong, A Rinderspacher, SX Deng, DH Smith, U Toebben, …Bioorganic & medicinal chemistry letters 18 (9), 2840-2844 | 48 | 2008 |
MEDI 262-Aggregation and clearance of mutant huntingtin proteinA Rinderspacher, Y Liu, SX Deng, G Gong, Y Xie, ML Cremona, …ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 235 | 2008 | |
MEDI 91-A nonclassical NF-kappa B pathway in HUVEC cells revealed by small molecule probesY Liu, G Gong, Y Xie, A Rinderspacher, SX Deng, DW Landry, M Wyler, …ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 235 | 2008 | |
MEDI 92-Discovery of novel small molecule activators of NFkB pathwayG Gong, Y Xie, Y Liu, A Rinderspacher, SX Deng, DW Landry, M Wyler, …ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 235 | 2008 | |
MEDI 241-Identification of small molecular inhibitors of lymphocyte specific protein tyrosine phosphataseY Xie, Y Liu, G Gong, A Rinderspacher, SX Deng, DW Landry, DH Smith, …ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 235 | 2008 | |
Introducing our AuthorsN Thorne, SC Schurer, SJ Brown, HL SchultheiszACS Chemical Biology 3 (8), 453-453 | 2008 | |
Identification of N-(quinolin-8-yl) benzenesulfonamides as agents capable of down-regulating NFκB activity within two separate high-throughput screens of NFκB activationY Xie, SX Deng, CJ Thomas, Y Liu, YQ Zhang, A Rinderspacher, …Bioorganic & medicinal chemistry letters 18 (1), 329-335 | 31 | 2008 |
Comparison of miniaturized time-resolved fluorescence resonance energy transfer and enzyme-coupled luciferase high-throughput screening assays to discover inhibitors of Rho …T Schröter, D Minond, A Weiser, C Dao, J Habel, T Spicer, P Chase, …SLAS Discovery 13 (1), 17-28 | 53 | 2008 |
COMP 483-Random forest ensembles applied to MLSCN screening data for toxicity prediction and feature selectionR Guha, S SchurerABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 234 | 2007 | |
Prospective exploration of synthetically feasible, medicinally relevant chemical spaceSC Schürer, P Tyagi, SM MuskalJournal of chemical information and modeling 45 (2), 239-248 | 35 | 2005 |
Relating chemical and biological space: An in-silico platform technology approach to accelerate the discovery of novel medicinally relevant small molecules.SC SchurerABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 227, U679-U679 | 2004 | |
Assay Guidance ManualKE Garbison, BA Heinz, ME Lajiness, JR Weidner, GS SittampalamEli Lilly & Company and the National Center for Advancing Translational Sciences | 24 | 2004 |
Separation of matching and mapping in chemical reaction transformsS Schurer, S Muskal, S Jha, P TyagiUS Patent App. 10/373,580 | 4 | 2003 |
Separation of matching and mapping in chemical reaction transformsS Schurer, S Muskal, S Jha, P TyagiUS Patent App. 10/373,580 | 4 | 2003 |
Method of flexibly generating diverse reaction chemistriesB Bunin, T Powers, G Morales, S Schurer, S Muskal, O SaundersUS Patent App. 10/300,730 | 2 | 2003 |
Chemistry resource databaseB Bunin, S Schurer, S MuskalUS Patent App. 09/996,635 | 9 | 2002 |
Chemistry resource databaseB BuninUS Patent App. 09/825,135 | 49 | 2002 |
Synthese und Anwendung eines permanent immobilisierten Olefinmetathese‐KatalysatorsSC Schürer, S Gessler, N Buschmann, S BlechertAngewandte Chemie 112 (21), 4062-4065 | 88 | 2000 |
Synthesis and Application of a Permanently Immobilized Olefin‐Metathesis CatalystSC Schürer, S Gessler, N Buschmann, S BlechertAngewandte Chemie International Edition 39 (21), 3898-3901 | 258 | 2000 |
Beiträge zur Weiterentwicklung der OlefinmetatheseSC Schürer | 2000 | |
Beiträge zur Weiterentwicklung der Olefinmetathese: Kombinatorische Synthese und Neue KatalysatorenDCSC Schürer | 2000 | |
Sequences of yne-ene cross metathesis and Diels-Alder cycloaddition reactions-modular solid phase synthesis of substituted octahydrobenzazepinonesSC Schürer, S BlechertSynlett 1999 (12), 1879-1882 | 19 | 1999 |
Preparation of enantioenriched α-bromo acids incorporating diverse functionalityAJ Souers, S Schürer, H Kwack, AA Virgilio, JA EllmanSynthesis 1999 (04), 583-585 | 25 | 1999 |
A versatile synthesis of substituted tetrahydropyridinesSC Schürer, S BlechertTetrahedron letters 40 (10), 1877-1880 | 81 | 1999 |
Synthesis of pseudo-oligosaccharides by a sequence of yne-ene cross metathesis and Diels–Alder reactionSC Schürer, S BlechertChemical Communications, 1203-1204 | 37 | 1999 |
Novel inhibitors of α4β1 integrin receptor interactions through library synthesis and screeningAJ Souers, AA Virgilio, SS Schürer, JA Ellman, TP Kogan, HE West, …Bioorganic & medicinal chemistry letters 8 (17), 2297-2302 | 73 | 1998 |
Ruthenium-Catalyzed Yne-Ene Cross Metathesis Binding to Solid Support and Cleavage by Pd0-CatalysisSC Schürer, S BlechertSynlett 1998 (02), 166-168 | 26 | 1998 |
Expedient solid-phase synthesis of putative β-turn mimetics incorporating the i+ 1, i+ 2, and i+ 3 sidechainsAA Virgilio, SC Schürer, JA EllmanTetrahedron letters 37 (39), 6961-6964 | 102 | 1996 |
Adaptation of a ß-turn Mimetic Synthesis Sequence to Enable the Rapid and Simultaneous Synthesis of Numerous DerivativesS Schürer | 1996 | |
Supplemental ResultsM Pilarczyk, M Fazel-Najafabadi, M Kouril, B Shamsaei, J Vasiliauskas, … | ||
Large-scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4N Ayad, SC Schürer | ||
Connecting omics signatures of diseases, drugs, and mechanisms of actions with iLINCSF Reichard, V Stathias, A Koleti, D Vidovic, DJB Clark, S Schurer, … | ||
Kinome-wide Activity Models from Diverse High-Quality DatasetsSC Schürer, SM Muskal | ||
Supplementary Material Identification of a novel class of BRD4 inhibitors by computational screening and binding simulationsBK Allen, S Mehta, SWJ Ember, JY Zhu, E Schönbrunn, NG Ayad, … | ||
Full wwPDB X-ray Structure Validation Report i○Y Hai, JE Edwards, MC Van Zandt, KF Hoffmann, DW Christianson | ||
Small Molecule-Mediated Activation of the Integrin CD11b/CD18 ReducesAN Donnelly, LF Moita, S Schürer, D Traver, P Ruiz, DH Balla, CJ Barth, … | ||
BAOSearch: A Semantic Web Application for Biological Screening and Drug Discovery ResearchUV Venkatapuram, S Schürer |