Publications

Full list can be found at: https://scholar.google.com/citations?hl=en&user=ISNqR10AAAAJ&view_op=list_works&sortby=title

TitleCited byYear
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, 1654592023
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, 16428932023
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-Oncolytics2023
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 Water2023
Pan-cancer proteogenomics connects oncogenic drivers to functional statesY Li, E Porta-Pardo, C Tokheim, MH Bailey, TM Yaron, V Stathias, …Cell32023
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), 1397-140652023
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 Medicine2023
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), 102023
Pan-cancer analysis of post-translational modifications reveals shared patterns of protein regulationY Geffen, S Anand, Y Akiyama, TM Yaron, Y Song, JL Johnson, …Cell22023
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. e352023
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), 1688-16882023
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, 546-5462023
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), e101026312023
Inhibitors of the notch transcriptional activation complex kinase (“nack”) and methods for use of the sameAJ Capobianco, SC Schürer, X Zhu, TT KelleyUS Patent 11,649,21412023
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), 1952-196892023
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. 17/929,9572023
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, 16142382023
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, 307-3202023
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, 159188102023
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-D141682023
Geospatially-resolved public-health surveillance via wastewater sequencingBT Tierney, J Foox, K Ryon, D Butler, N Damle, BG Young, C Mozsary, …medRxiv, 2023.05. 31.232907812023
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)22022
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), 3021-30222022
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), 2261-22622022
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-vii1182022
First detection of the Monkeypox virus using wastewater-based surveillance in Miami-Dade CountyME Sharkey, KM Babler, SM Abelson, B Alsuliman, A Amirali, …62022
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), 106682022
Connecting omics signatures and revealing biological mechanisms with iLINCSM Pilarczyk, M Fazel-Najafabadi, M Kouril, B Shamsaei, J Vasiliauskas, …Nature Communications 13 (1), 4678132022
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-W709172022
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), 4067-40672022
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), 1992-2003372022
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), 2004-2013112022
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. 09.4912122022
The Clinical Kinase Index (CKI): A user friendly application to prioritize kinases as prospective cancer drug targetsR Khurana, SC SchürerSoftware Impacts 12, 10025712022
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, …medRxiv42022
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), 1812022
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, …12022
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 System2022
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), vdab19212022
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), 10126032022
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), 3036-3049102021
Lessons learned from SARS-CoV-2 measurements in wastewaterME Sharkey, N Kumar, AMA Mantero, KM Babler, MM Boone, …Science of The Total Environment 798, 149177292021
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-vi52021
Multiscale mapping of transcriptomic signatures for cardiotoxic drugsJ Hansen, Y Xiong, P Dhanan, B Hu, AS Yadaw, G Jayaraman, …bioRxiv, 2021.11. 02.4667742021
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), 15727-1574672021
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), 162021
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), 24432-2444322021
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), 228222021
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. 06.45542952021
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. e401292021
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), 207-2072021
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. e202912021
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-D1346902021
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, 132-1421042021
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. e311642020
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)422020
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. 21.3069102020
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-W93232020
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, 112023142020
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. 26.96660612020
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-D4391092020
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. e1122019
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), 417-421402019
Identification of Tractable Drug-like eIF4Al Inhibitors with Potent Anti-Tumor ActivityTA Cunningham, D Essegian, S Schürer, JH SchatzBlood 134, 57602019
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), vi642019
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), vi1052019
Connecting omics signatures of diseases, drugs, and mechanisms of actions with iLINCSM Pilarczyk, M Kouril, B Shamsaei, J Vasiliauskas, W Niu, N Mahi, …BioRxiv, 826271382019
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), 3330-33302019
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), 5103-51032019
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, 657676132019
Improving the utility of the Tox21 dataset by deep metadata annotations and constructing reusable benchmarked chemical reference signaturesDJ Cooper, S SchürerMolecules 24 (8), 160432019
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, 237-24762019
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), 358-3672362019
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 2572019
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), 357282019
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), 4055202019
DrugCentral 2018: an updateO Ursu, J Holmes, CG Bologa, JJ Yang, SL Mathias, V Stathias, …Nucleic acids research 47 (D1), D963-D9701082019
Kinome-wide activity classification of small molecules by deep learningBK Allen, NG Ayad, SC SchürerbioRxiv, 51245952019
How to Develop a Drug Target Ontology: KNowledge Acquisition and Representation Methodology (KNARM)H Küçük McGinty, U Visser, S SchürerBioinformatics and Drug Discovery, 49-6942019
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), 5315822018
Far away from the lamppostTI Oprea, L Jan, GL Johnson, BL Roth, A Ma’ayan, S Schürer, …PLoS biology 16 (12), e3000067132018
A gene family-led meta-analysis of drug-target interactionsQ Cheng, S Mehta, S Schürer2018 IEEE International Conference on Bioinformatics and Biomedicine (BIBM …12018
Computational Identification of Tractable Drug-like Inhibitors of eIF4A1D Essegian, TA Cunningham, JH Schatz, S SchurerBlood 132, 58022018
CARM1 Inhibition: Evaluation of Response and Efficacy in Acute Myeloid LeukemiaAK Mookhtiar, S Greenblatt, N Man, D Karl, V Stathias, S Schurer, …Blood 132, 271912018
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, 1201402018
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 2562018
OntoloBridge: A semi-automated ontology update request systemJ Turner, A Clark, H McGinty, B Bunin, S SchurerABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 2562018
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 2562018
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), 1-14262018
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. e5552018
Unexplored therapeutic opportunities in the human genomeTI Oprea, CG Bologa, S Brunak, A Campbell, GN Gan, A Gaulton, …Nature reviews Drug discovery 17 (5), 317-3323132018
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, 427-42872018
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), 13-243592018
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-D5661542018
Drug repositioning in glioblastoma: a pathway perspectiveSK Tan, A Jermakowicz, AK Mookhtiar, CB Nemeroff, SC Schürer, …Frontiers in pharmacology, 218872018
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), 43-53132017
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, 1-16652017
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 …12017
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 …22017
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), 1489-1502272017
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), 4760-4771332017
TIN-X: target importance and novelty explorerDC Cannon, JJ Yang, SL Mathias, O Ursu, S Mani, A Waller, SC Schürer, …Bioinformatics 33 (16), 2601-2603242017
Identification of therapeutic combinations in glioblastoma using personalized gene expression networksV Stathias, M Forlin, B Allen, S Schürer, NG AyadCancer Research 77 (13_Supplement), 416-4162017
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, 49-57282017
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), 994-1007352017
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-D10022252017
From flamingo dance toMNDS Cordeiro, E Tejera, JL Medina-Franco, M Cruz-Monteagudo2017
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, 1-4102017
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 …12017
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-A332017
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), 775-7752016
High quality, small molecule-activity datasets for kinase research [version 2; referees: 2 approved]R Sharma, SC Schürer, SM MuskalVolume12016
research [version 3; peer review: 2 approved]R Sharma, SC Schürer, SM Muskal2016
research [version 1; referees: 2 approved]R Sharma, SC Schürer, SM Muskal2016
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 2512016
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 2512016
Community training and outreach activities of the BD2K-LINCS data coordination and integration center (DCIC)S Jenkins, S Schürer, M Medvedovic, AM AyanF1000Research2016
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/BioCreative2016
Building Concordant Ontologies for Drug Discovery.H Küçük-McGinty, S Mehta, Y Lin, N Nabizadeh, V Stathias, D Vidovic, …ICBO/BioCreative12016
High quality, small molecule-activity datasets for kinase research [version 1; referees: awaiting peer review]R Sharma, SC Schürer, SM Muskal2016
High quality, small molecule-activity datasets for kinase researchR Sharma, SC Schürer, SM MuskalF1000Research 5212016
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), 2716-2724242015
Noribogaine is a G-protein biased κ-opioid receptor agonistEL Maillet, N Milon, MD Heghinian, J Fishback, SC Schürer, …Neuropharmacology 99, 675-688612015
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), 16924652015
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 2502015
Ligand-and structure-based virtual screening to discover dual EGFR and BRD4 inhibitorsB Allen, S Mehta, N Ayad, S SchürerCancer Research 75 (15_Supplement), 3690-369022015
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), 65-652015
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), 1274-128112015
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, LB5052015
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), 402-415152015
Epigenetic pathways and glioblastoma treatment: insights from signaling cascadesBK Allen, V Stathias, ME Maloof, D Vidovic, EF Winterbottom, …Journal of cellular biochemistry 116 (3), 351-363232015
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), 417-424152015
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-D1170252015
CLO: the cell line ontologyS Sarntivijai, Y Lin, Z Xiang, TF Meehan, AD Diehl, UD Vempati, …Journal of biomedical semantics 5 (1), 1-101092014
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), v6012014
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, 342832014
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, e524252014
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), 534-5484312014
Casein kinase 1δ-dependent Wee1 protein degradationC Penas, V Ramachandran, S Simanski, C Lee, F Madoux, RJ Rahaim, …Journal of Biological Chemistry 289 (27), 18893-18903252014
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), 614-627272014
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), 1-22932014
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), 803-816812014
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]162014
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, 142014
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, 142014
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), 3211-3219412013
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 2462013
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), 5373-5382592013
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), 4374-4380112013
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), 4374-4380802013
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), 1644-1660512013
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), 1027-1036392013
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 2452013
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]42013
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]32013
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]162013
Kinome-wide activity modeling from diverse public high-quality data setsSC Schürer, SM MuskalJournal of chemical information and modeling 53 (1), 27-38582013
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-8742013
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), 1975-1983612012
Novel kinase inhibitors by reshuffling ligand functionalities across the human kinomeD Vidović, SM Muskal, SC SchürerJournal of chemical information and modeling 52 (12), 3107-311552012
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), 982-9892192012
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), e49198652012
Computer Aided Drug Design & QSARSM Muskal, SC Schurer2012
Knowledge-based characterization of chemistry space and visualizationB Bhhatarai, S SchurerABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 2442012
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 …72012
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), 851-8557812012
Compound Profiling with High-Content Screening MethodologyT Mayer, S SchurerChemical Genomics, 2152012
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 232012
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 …62012
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), 7107-7112402011
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), 1-161352011
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), 2043-2051522011
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), 477-4815662011
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-ra571312011
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, 873-88322011
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 24222011
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, 25-32222011
Computational modeling of substrate specificity and catalysis of the β-secretase (BACE1) enzymeA Barman, S Schürer, R PrabhakarBiochemistry 50 (20), 4337-4349572011
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, 491-51862011
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), 491-4945602011
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), 6811-68161182011
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), 6811-681652011
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), 415-426612011
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]42011
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), 562-571392011
A Combined Ligand‐and Structure‐Based Virtual Screening Protocol Identifies Submicromolar PPARγ Partial AgonistsD Vidović, SA Busby, PR Griffin, SC SchürerChemMedChem 6 (1), 94-103512011
Bioassay Ontology to Describe High-Throughput Screening Assays and their Results.U Vempati, U Visser, S Abeyruwan, K Sakurai, M Przydzial, C Chung, …ICBO22011
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), 5727-5737662010
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), 175-179402010
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, 527.5-527.52010
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), 194-199112010
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 Phenotyping2010
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)42010
PrOntoLearn: unsupervised lexico-semantic ontology generation using probabilistic methodsS AbeyruwanUniversity of Miami82010
14 Screening InformaticsSC Schürer, NF TsinoremasA Practical Guide to Assay Development and High-Throughput Screening in Drug …32009
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), 6902-6906282009
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), 6686-6690492009
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), 6649-6659162009
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), 2354-2359342009
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), 1715-1717162009
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), 1191-119492009
Kinome-wide comparison of small molecule activity predictorsfrom diverse high-quality dataS Schürer, R Sharma, SM MuskalCICSJ bulletin 27 (4), 87-872009
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), 6390-63931032008
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), 6406-6409562008
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), 6642-6645972008
PrOntoLearn: Unsupervised lexico-semantic ontology generation using probabilistic methodsS Abeyruwan, U Visser, V Lemmon, S SchürerInternational Workshop on Uncertainty Reasoning for the Semantic Web, 217-23662008
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 2362008
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 2362008
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), 486-498712008
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), 48622008
Utilizing high throughput screening data for predictive toxicology models: protocols and application to MLSCN assaysR Guha, SC SchürerJournal of computer-aided molecular design 22, 367-384522008
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), 2840-2844482008
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 2352008
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 2352008
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 2352008
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 2352008
Introducing our AuthorsN Thorne, SC Schurer, SJ Brown, HL SchultheiszACS Chemical Biology 3 (8), 453-4532008
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), 329-335312008
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), 17-28532008
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 2342007
Prospective exploration of synthetically feasible, medicinally relevant chemical spaceSC Schürer, P Tyagi, SM MuskalJournal of chemical information and modeling 45 (2), 239-248352005
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-U6792004
Assay Guidance ManualKE Garbison, BA Heinz, ME Lajiness, JR Weidner, GS SittampalamEli Lilly & Company and the National Center for Advancing Translational Sciences242004
Separation of matching and mapping in chemical reaction transformsS Schurer, S Muskal, S Jha, P TyagiUS Patent App. 10/373,58042003
Separation of matching and mapping in chemical reaction transformsS Schurer, S Muskal, S Jha, P TyagiUS Patent App. 10/373,58042003
Method of flexibly generating diverse reaction chemistriesB Bunin, T Powers, G Morales, S Schurer, S Muskal, O SaundersUS Patent App. 10/300,73022003
Chemistry resource databaseB Bunin, S Schurer, S MuskalUS Patent App. 09/996,63592002
Chemistry resource databaseB BuninUS Patent App. 09/825,135492002
Synthese und Anwendung eines permanent immobilisierten Olefinmetathese‐KatalysatorsSC Schürer, S Gessler, N Buschmann, S BlechertAngewandte Chemie 112 (21), 4062-4065882000
Synthesis and Application of a Permanently Immobilized Olefin‐Metathesis CatalystSC Schürer, S Gessler, N Buschmann, S BlechertAngewandte Chemie International Edition 39 (21), 3898-39012582000
Beiträge zur Weiterentwicklung der OlefinmetatheseSC Schürer2000
Beiträge zur Weiterentwicklung der Olefinmetathese: Kombinatorische Synthese und Neue KatalysatorenDCSC Schürer2000
Sequences of yne-ene cross metathesis and Diels-Alder cycloaddition reactions-modular solid phase synthesis of substituted octahydrobenzazepinonesSC Schürer, S BlechertSynlett 1999 (12), 1879-1882191999
Preparation of enantioenriched α-bromo acids incorporating diverse functionalityAJ Souers, S Schürer, H Kwack, AA Virgilio, JA EllmanSynthesis 1999 (04), 583-585251999
A versatile synthesis of substituted tetrahydropyridinesSC Schürer, S BlechertTetrahedron letters 40 (10), 1877-1880811999
Synthesis of pseudo-oligosaccharides by a sequence of yne-ene cross metathesis and Diels–Alder reactionSC Schürer, S BlechertChemical Communications, 1203-1204371999
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), 2297-2302731998
Ruthenium-Catalyzed Yne-Ene Cross Metathesis Binding to Solid Support and Cleavage by Pd0-CatalysisSC Schürer, S BlechertSynlett 1998 (02), 166-168261998
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), 6961-69641021996
Adaptation of a ß-turn Mimetic Synthesis Sequence to Enable the Rapid and Simultaneous Synthesis of Numerous DerivativesS Schürer1996
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