Publications

Total Publications= 240
TitleCited ByYear
Monkeypox viral nucleic acids detected using both DNA and RNA extraction workflows
ME Sharkey, KM Babler, BS Shukla, SM Abelson, B Alsuliman, A Amirali, ...
Science of The Total Environment, 164289, 2023
2023
Inhibitors of the notch transcriptional activation complex kinase (“nack”) and methods for use of the same
AJ Capobianco, SC Schürer, X Zhu, TT Kelley
US Patent 11,649,214, 2023
12023
Reversal of lactate and PD-1–mediated macrophage immunosuppression controls growth of PTEN/p53-deficient prostate cancer
K Chaudagar, HM Hieromnimon, R Khurana, B Labadie, T Hirz, S Mei, ...
Clinical Cancer Research 29 (10), 1952-1968, 2023
32023
Inhibitors of the notch transcriptional activation complex kinase (" nack") and methods for use of the same
AJ Capobianco, SC Schúrer, X Zhu, TT Kelley
US Patent App. 17/929,957, 2023
2023
A novel chemical attack on Notch-mediated transcription by targeting the NACK ATPase
G Diluvio, TT Kelley, M Lahiry, A Alvarez-Trotta, EM Kolb, E Shersher, ...
Molecular Therapy-Oncolytics 28, 307-320, 2023
2023
Predicting COVID-19 cases using SARS-CoV-2 RNA in air, surface swab and wastewater samples
HM Solo-Gabriele, S Kumar, S Abelson, J Penso, J Contreras, KM Babler, ...
Science of the Total Environment 857, 159188, 2023
42023
Degradation rates influence the ability of composite samples to represent 24-hourly means of SARS-CoV-2 and other microbiological target measures in wastewater
KM Babler, ME Sharkey, S Abelson, A Amirali, A Benitez, GA Cosculluela, ...
Science of The Total Environment, 161423, 2023
22023
Pharos 2023: an integrated resource for the understudied human proteome
KJ Kelleher, TK Sheils, SL Mathias, JJ Yang, VT Metzger, VB Siramshetty, ...
Nucleic Acids Research 51 (D1), D1405-D1416, 2023
32023
Cellular and molecular effects of PNCK, a non-canonical kinase target in renal cell carcinoma
DJ Essegian, V Chavez, F Bustamante, SC Schürer, JR Merchan
Iscience 25 (12), 105621, 2022
12022
Tyrosine Phosphorylation of CARM1 Promotes Its Enzymatic Activity and Alters Its Target Specificity in Myeloid Neoplasms with Hyperactivated JAK2
H Itonaga, AK Mookhtiar, S Greenblatt, F Liu, C Martinez, R Grozovsky, ...
Blood 140 (Supplement 1), 3021-3022, 2022
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
2022
EPCO-14. ISOSCELES: AN INTEGRATIVE FRAMEWORK FOR THE PREDICTION OF TREATMENT RESISTANT GLIOBLASTOMA CELLS
R Suter, A Jermakowicz, V Stathias, L Ruiz, M D'Antuono, S Kaeppeli, ...
Neuro-oncology (Charlottesville, Va.) 24 (Supplement_7), vii118-vii118, 2022
2022
A multi-omic analysis of MCF10A cells provides a resource for integrative assessment of ligand-mediated molecular and phenotypic responses
SM Gross, MA Dane, RL Smith, KL Devlin, IC McLean, DS Derrick, ...
Communications Biology 5 (1), 1066, 2022
42022
First detection of the Monkeypox virus using wastewater-based surveillance in Miami-Dade County
ME Sharkey, KM Babler, SM Abelson, B Alsuliman, A Amirali, ...
42022
Connecting omics signatures and revealing biological mechanisms with iLINCS
M Pilarczyk, M Fazel-Najafabadi, M Kouril, B Shamsaei, J Vasiliauskas, ...
Nature Communications 13 (1), 4678, 2022
82022
Tyrosine phosphorylation of CARM1 promotes its enzymatic activity and alters its target specificity
H Itonaga, A Mookhtiar, S Greenblatt, F Liu, C Martinez, R Grozovsky, ...
2022
SigCom LINCS: data and metadata search engine for a million gene expression signatures
JE Evangelista, DJB Clarke, Z Xie, A Lachmann, M Jeon, K Chen, ...
Nucleic acids research 50 (W1), W697-W709, 2022
142022
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
2022
Relationships between SARS-CoV-2 in wastewater and COVID-19 clinical cases and hospitalizations, with and without normalization against indicators of human waste
Q Zhan, KM Babler, ME Sharkey, A Amirali, CC Beaver, MM Boone, ...
Acs Es&T Water 2 (11), 1992-2003, 2022
242022
Comparison of electronegative filtration to magnetic bead-based concentration and V2G-qPCR to RT-qPCR for quantifying viral SARS-CoV-2 RNA from wastewater
KM Babler, A Amirali, ME Sharkey, SL Williams, MM Boone, ...
ACS ES&T Water 2 (11), 2004-2013, 2022
62022
Cellular And Molecular Effects Of Understudied Kinase Pregnancy-Upregulated Non-Ubiquitous Calcium-Calmodulin Dependent Kinase (PNCK) In Renal Cell Carcinoma
DJ Essegian, V Chavez, F Bustamante, SC Schürer, JR Merchan
bioRxiv, 2022.05. 09.491212, 2022
2022
The Clinical Kinase Index (CKI): A user friendly application to prioritize kinases as prospective cancer drug targets
R Khurana, SC Schürer
Software Impacts 12, 100257, 2022
12022
COVID-19 Prediction using Genomic Footprint of SARS-CoV-2 in Air, Surface Swab and Wastewater Samples
HM Solo-Gabriele, S Kumar, S Abelson, J Penso, J Contreras, KM Babler, ...
medRxiv, 2022
22022
Proteomic cellular signatures of kinase inhibitor-induced cardiotoxicity
Y Xiong, T Liu, T Chen, J Hansen, B Hu, Y Chen, G Jayaraman, S Schürer, ...
Scientific data 9 (1), 18, 2022
12022
Metadata record for: Proteomic cellular signatures of kinase inhibitor-induced cardiotoxicity
T Liu, J Hansen, T Chen, J Goldfarb, MR Birtwistle, S Schürer, EA Sobie, ...
figshare Academic Research System, 2022
2022
AI-assisted chemical probe discovery for the understudied calcium-calmodulin dependent kinase, PNCK
D Essegian, V Chavez, R Khurshid, JR Merchan, SC Schürer
bioRxiv, 2022.06. 01.494277, 2022
12022
A multiparametric pharmacogenomic strategy for drug repositioning predicts therapeutic efficacy for glioblastoma cell lines
AH Shah, R Suter, P Gudoor, TT Doucet-O’Hare, V Stathias, I Cajigas, ...
Neuro-oncology advances 4 (1), vdab192, 2022
12022
A novel strategy for combination of clofarabine and pictilisib is synergistic in gastric cancer
S Khalafi, S Zhu, R Khurana, I Lohse, S Giordano, S Corso, H Al-Ali, ...
Translational oncology 15 (1), 101260, 2022
12022
A library of induced pluripotent stem cells from clinically well-characterized, diverse healthy human individuals
C Schaniel, P Dhanan, B Hu, Y Xiong, T Raghunandan, DM Gonzalez, ...
Stem cell reports 16 (12), 3036-3049, 2021
92021
Lessons learned from SARS-CoV-2 measurements in wastewater
ME Sharkey, N Kumar, AMA Mantero, KM Babler, MM Boone, ...
Science of The Total Environment 798, 149177, 2021
212021
EPCO-18. A MESENCHYMAL CELL POPULATION MEDIATES RESISTANCE TO AURORA KINASE INHIBITORS IN GLIOBLASTOMA
R Suter, V Stathias, A Jermakowicz, H Pradhyumnan, M Affer, ...
Neuro-oncology (Charlottesville, Va.) 23 (Supplement_6), vi5-vi5, 2021
2021
Multiscale mapping of transcriptomic signatures for cardiotoxic drugs
J Hansen, Y Xiong, P Dhanan, B Hu, AS Yadaw, G Jayaraman, ...
2021
Multiscale mapping of transcriptomic signatures for cardiotoxic drugs
J Hansen, Y Xiong, P Dhanan, B Hu, AS Yadaw, G Jayaraman, ...
bioRxiv, 2021.11. 02.466774, 2021
2021
Discovery of an eIF4A Inhibitor with a Novel Mechanism of Action
CJ Zerio, TA Cunningham, AS Tulino, EA Alimusa, TM Buckley, KT Moore, ...
Journal of medicinal chemistry 64 (21), 15727-15746, 2021
62021
The genetic landscape of ocular adnexa MALT lymphoma reveals frequent aberrations in NFAT and MEF2B signaling pathways
M Magistri, LE Happ, J Ramdial, XQ Lu, V Stathias, K Kunkalla, N Agarwal, ...
Cancer research communications 1 (1), 1, 2021
42021
Molecular Dynamics Simulations Identify Tractable Lead-like Phenyl-Piperazine Scaffolds as eIF4A1 ATP-competitive Inhibitors
DJ Essegian, TA Cunningham, CJ Zerio, E Chapman, J Schatz, ...
ACS omega 6 (38), 24432-24443, 2021
22021
Loop-mediated isothermal amplification detection of SARS-CoV-2 and myriad other applications
KJM Moore, J Cahill, G Aidelberg, R Aronoff, A Bektaş, D Bezdan, ...
Journal of biomolecular techniques: JBT 32 (3), 228, 2021
182021
A LINCS microenvironment perturbation resource for integrative assessment of ligand-mediated molecular and phenotypic responses
SM Gross, MA Dane, RL Smith, K Devlin, I McLean, D Derrick, C Mills, ...
bioRxiv, 2021.08. 06.455429, 2021
42021
A proteogenomic portrait of lung squamous cell carcinoma
S Satpathy, K Krug, PMJ Beltran, SR Savage, F Petralia, C Kumar-Sinha, ...
Cell 184 (16), 4348-4371. e40, 2021
1002021
Targeting the Notch transcriptional activation complex with a novel PRAG1 inhibitor to attenuate reactive gliosis
RA Gallo, TT Kelley, G Dvoriantchikova, SH Lang, AHM Moeyersoms, ...
Investigative Ophthalmology & Visual Science 62 (8), 207-207, 2021
2021
Proteogenomic and metabolomic characterization of human glioblastoma
LB Wang, A Karpova, MA Gritsenko, JE Kyle, S Cao, Y Li, D Rykunov, ...
Cancer cell 39 (4), 509-528. e20, 2021
2272021
TCRD and Pharos 2021: mining the human proteome for disease biology
TK Sheils, SL Mathias, KJ Kelleher, VB Siramshetty, DT Nguyen, ...
Nucleic Acids Research 49 (D1), D1334-D1346, 2021
792021
COVID-19 Prediction using Genomic Footprint of SARS-CoV-2 in Air, Surface Swab
HM Solo-Gabriele, S Kumar, S Abelson, J Penso, J Contreras, KM Babler, ...
Public Health 18 (9), 2021
2021
Machine and deep learning approaches for cancer drug repurposing
NT Issa, V Stathias, S Schürer, S Dakshanamurthy
Seminars in cancer biology 68, 132-142, 2021
882021
Integrated proteogenomic characterization across major histological types of pediatric brain cancer
F Petralia, N Tignor, B Reva, M Koptyra, S Chowdhury, D Rykunov, A Krek, ...
Cell 183 (7), 1962-1985. e31, 2020
1412020
The clinical kinase index: a method to prioritize understudied kinases as drug targets for the treatment of cancer
D Essegian, R Khurana, V Stathias, SC Schürer
Cell Reports Medicine 1 (7), 100128, 2020
362020
Multiplex-inhibitor bead mass spectrometry reveals differential kinome signatures in newly diagnosed and recurrent glioblastoma
A Jermakowicz, AM Kurimchak, J Sarkaria, R Komotar, ME Ivan, ...
bioRxiv, 2020.09. 21.306910, 2020
2020
piNET: a versatile web platform for downstream analysis and visualization of proteomics data
B Shamsaei, S Chojnacki, M Pilarczyk, M Najafabadi, W Niu, C Chen, ...
Nucleic acids research 48 (W1), W85-W93, 2020
202020
Identification of DOT1L inhibitors by structure-based virtual screening adapted from a nucleoside-focused library
GS Gibbons, A Chakraborty, SM Grigsby, AC Umeano, C Liao, ...
European journal of medicinal chemistry 189, 112023, 2020
142020
Proteomic cellular signatures of kinase inhibitor-induced cardiotoxicity: Mount Sinai DToxS LINCS Center Dataset
Y Xiong, T Liu, T Chen, J Hansen, B Hu, Y Chen, G Jayaraman, S Schürer, ...
bioRxiv, 2020.02. 26.966606, 2020
12020
LINCS Data Portal 2.0: next generation access point for perturbation-response signatures
V Stathias, J Turner, A Koleti, D Vidovic, D Cooper, M Fazel-Najafabadi, ...
Nucleic acids research 48 (D1), D431-D439, 2020
1022020
Research techniques made simple: Molecular docking in dermatology-A foray into in silico drug discovery
NT Issa, EV Badiavas, S Schürer
Journal of investigative dermatology 139 (12), 2400-2408. e1, 2019
112019
FAIRshake: toolkit to evaluate the FAIRness of research digital resources
DJB Clarke, L Wang, A Jones, ML Wojciechowicz, D Torre, KM Jagodnik, ...
Cell systems 9 (5), 417-421, 2019
362019
Identification of Tractable Drug-like eIF4Al Inhibitors with Potent Anti-Tumor Activity
TA Cunningham, D Essegian, S Schürer, JH Schatz
Blood 134, 5760, 2019
2019
COMP-16. COMPREHENSIVE TRANSCRIPTOMIC ANALYSIS OF SINGLE CELLS FROM RECURRENT AND PRIMARY GLIOBLASTOMA TO PREDICT CELL-TYPE SPECIFIC THERAPEUTICS
R Suter, V Stathias, A Jermakowicz, A Semonche, M Ivan, R Komotar, ...
Neuro-Oncology 21 (Suppl 6), vi64, 2019
2019
GENE-36. INTEGRATING TRANSCRIPTOMICS AND KINOMICS IDENTIFIES SYNERGISTIC DRUG COMBINATIONS FOR GLIOBLASTOMA TREATMENT
A Jermakowicz, V Stathias, R Suter, J Duncan, S Schürer, N Ayad
Neuro-Oncology 21 (Suppl 6), vi105, 2019
2019
Connecting omics signatures of diseases, drugs, and mechanisms of actions with iLINCS
M Pilarczyk, M Kouril, B Shamsaei, J Vasiliauskas, W Niu, N Mahi, ...
BioRxiv, 826271, 2019
352019
Notch signaling pathway inhibition in the specification of human retinal ganglion cells from induced pluripotent stem cell derived retinal organoids
ZA Torres, T Kelley, S Schurer, D Pelaez
Investigative Ophthalmology & Visual Science 60 (9), 3330-3330, 2019
2019
The dark cancer kinome-untapped opportunities for the development of novel drugs
DJ Essegian, R Khurana, V Stathias, V Chavez, JR Merchan, S Schürer
Cancer Research 79 (13_Supplement), 5103-5103, 2019
2019
FAIRshake: toolkit to evaluate the findability, accessibility, interoperability, and reusability of research digital resources
DJB Clarke, L Wang, A Jones, ML Wojciechowicz, D Torre, KM Jagodnik, ...
BioRxiv, 657676, 2019
132019
Improving the utility of the Tox21 dataset by deep metadata annotations and constructing reusable benchmarked chemical reference signatures
DJ Cooper, S Schürer
Molecules 24 (8), 1604, 2019
32019
OSCI: standardized stem cell ontology representation and use cases for stem cell investigation
Y He, WD Duncan, DJ Cooper, J Hansen, R Iyengar, E Ong, K Walker, ...
BMC bioinformatics 20, 237-247, 2019
62019
FAIRsharing as a community approach to standards, repositories and policies
SA Sansone, P McQuilton, P Rocca-Serra, A Gonzalez-Beltran, M Izzo, ...
Nature biotechnology 37 (4), 358-367, 2019
2162019
Design and optimization of a first-in-class NACK inhibitor: A novel path to notch inhibition
T Kelley, X Zhu, A Capobianco, S Schurer
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019
2019
Novel Curcumin Inspired Bis-Chalcone Promotes Endoplasmic Reticulum Stress and Glioblastoma Neurosphere Cell Death
L Sansalone, EA Veliz, NG Myrthil, V Stathias, W Walters, II Torrens, ...
Cancers 11 (3), 357, 2019
272019
Use of machine learning to identify novel, behaviorally active antagonists of the insect odorant receptor co-receptor (Orco) subunit
D Kepchia, P Xu, R Terryn, A Castro, SC Schürer, WS Leal, CW Luetje
Scientific reports 9 (1), 4055, 2019
182019
DrugCentral 2018: an update
O Ursu, J Holmes, CG Bologa, JJ Yang, SL Mathias, V Stathias, ...
Nucleic acids research 47 (D1), D963-D970, 2019
1102019
Kinome-wide activity classification of small molecules by deep learning
BK Allen, NG Ayad, SC Schürer
bioRxiv, 512459, 2019
42019
How to Develop a Drug Target Ontology: KNowledge Acquisition and Representation Methodology (KNARM)
H Küçük McGinty, U Visser, S Schürer
Bioinformatics and Drug Discovery, 49-69, 2019
22019
Drug and disease signature integration identifies synergistic combinations in glioblastoma
V Stathias, AM Jermakowicz, ME Maloof, M Forlin, W Walters, RK Suter, ...
Nature communications 9 (1), 5315, 2018
712018
Far away from the lamppost
TI Oprea, L Jan, GL Johnson, BL Roth, A Ma’ayan, S Schürer, ...
PLoS biology 16 (12), e3000067, 2018
112018
A gene family-led meta-analysis of drug-target interactions
Q Cheng, S Mehta, S Schürer
2018 IEEE International Conference on Bioinformatics and Biomedicine (BIBM …, 2018
12018
Computational Identification of Tractable Drug-like Inhibitors of eIF4A1
D Essegian, TA Cunningham, JH Schatz, S Schurer
Blood 132, 5802, 2018
2018
CARM1 Inhibition: Evaluation of Response and Efficacy in Acute Myeloid Leukemia
AK Mookhtiar, S Greenblatt, N Man, D Karl, V Stathias, S Schurer, ...
Blood 132, 2719, 2018
2018
Polypharmacology or promiscuity? Structural interactions of resveratrol with its bandwagon of targets
U Saqib, TT Kelley, SK Panguluri, D Liu, R Savai, MS Baig, SC Schürer
Frontiers in pharmacology 9, 1201, 2018
382018
Data standards, formal ontologies and software tools to facilitate integration, classification and modeling of drug discovery data
S Schurer, J Zheng, J Turner, A Koleti
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
OntoloBridge: A semi-automated ontology update request system
J Turner, A Clark, H McGinty, B Bunin, S Schurer
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
SynergySeq-Integration of disease and perturbation gene expression data to prioritize synergistic drug combinations in cancer
S Schurer, V Stathias, AMG Jermakowicz, N Ayad
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018
2018
Sustainable data and metadata management at the BD2K-LINCS Data Coordination and Integration Center
V Stathias, A Koleti, D Vidović, DJ Cooper, KM Jagodnik, R Terryn, ...
Scientific data 5 (1), 1-14, 2018
242018
CARM1 is essential for myeloid leukemogenesis but dispensable for normal hematopoiesis
SM Greenblatt, N Man, PJ Hamard, T Asai, D Karl, C Martinez, D Bilbao, ...
Cancer cell 33 (6), 1111-1127. e5, 2018
512018
Unexplored therapeutic opportunities in the human genome
TI Oprea, CG Bologa, S Brunak, A Campbell, GN Gan, A Gaulton, ...
Nature reviews Drug discovery 17 (5), 317-332, 2018
2982018
CEDAR: semantic web technology to support open science
MA Musen, SA Sansone, KH Cheung, SH Kleinstein, M Crafts, ...
Companion Proceedings of the The Web Conference 2018, 427-428, 2018
72018
The library of integrated network-based cellular signatures NIH program: system-level cataloging of human cells response to perturbations
AB Keenan, SL Jenkins, KM Jagodnik, S Koplev, E He, D Torre, Z Wang, ...
Cell systems 6 (1), 13-24, 2018
3382018
Data Portal for the Library of Integrated Network-based Cellular Signatures (LINCS) program: integrated access to diverse large-scale cellular perturbation response data
A Koleti, R Terryn, V Stathias, C Chung, DJ Cooper, JP Turner, D Vidović, ...
Nucleic acids research 46 (D1), D558-D566, 2018
1452018
Drug repositioning in glioblastoma: a pathway perspective
SK Tan, A Jermakowicz, AK Mookhtiar, CB Nemeroff, SC Schürer, ...
Frontiers in pharmacology, 218, 2018
832018
Ontological representation, integration, and analysis of LINCS cell line cells and their cellular responses
E Ong, J Xie, Z Ni, Q Liu, S Sarntivijai, Y Lin, D Cooper, R Terryn, ...
BMC bioinformatics 18 (17), 43-53, 2017
132017
Drug target ontology to classify and integrate drug discovery data
Y Lin, S Mehta, H Küçük-McGinty, JP Turner, D Vidovic, M Forlin, A Koleti, ...
Journal of biomedical semantics 8 (1), 1-16, 2017
582017
Learning reference-enriched approach towards large scale active ontology alignment and integration
Q Cheng, O Ursu, TI Oprea, S Schurer
2017 IEEE International Conference on Bioinformatics and Biomedicine (BIBM …, 2017
12017
The ontology reference model for visual selectivity analysis in drug-target interactions
Q Cheng, FA Lopez, C Duran, C Camarillo, TI Oprea, S Schurer
2017 IEEE International Conference on Bioinformatics and Biomedicine (BIBM …, 2017
12017
From flamingo dance to (desirable) drug discovery: a nature-inspired approach
A Sánchez-Rodríguez, Y Pérez-Castillo, SC Schürer, O Nicolotti, ...
Drug discovery today 22 (10), 1489-1502, 2017
242017
Identification of a novel class of BRD4 inhibitors by computational screening and binding simulations
BK Allen, S Mehta, SWJ Ember, JY Zhu, E Schönbrunn, NG Ayad, ...
ACS omega 2 (8), 4760-4771, 2017
312017
TIN-X: target importance and novelty explorer
DC Cannon, JJ Yang, SL Mathias, O Ursu, S Mani, A Waller, SC Schürer, ...
Bioinformatics 33 (16), 2601-2603, 2017
232017
Identification of therapeutic combinations in glioblastoma using personalized gene expression networks
V Stathias, M Forlin, B Allen, S Schürer, NG Ayad
Cancer Research 77 (13_Supplement), 416-416, 2017
2017
Developing a framework for digital objects in the Big Data to Knowledge (BD2K) commons: Report from the Commons Framework Pilots workshop
KM Jagodnik, S Koplev, SL Jenkins, L Ohno-Machado, B Paten, ...
Journal of biomedical informatics 71, 49-57, 2017
282017
Systemic QSAR and phenotypic virtual screening: chasing butterflies in drug discovery
M Cruz-Monteagudo, S Schürer, E Tejera, Y Perez-Castillo, ...
Drug discovery today 22 (7), 994-1007, 2017
332017
Pharos: collating protein information to shed light on the druggable genome
DT Nguyen, S Mathias, C Bologa, S Brunak, N Fernandez, A Gaulton, ...
Nucleic acids research 45 (D1), D995-D1002, 2017
2112017
From flamingo dance to
MNDS Cordeiro, E Tejera, JL Medina-Franco, M Cruz-Monteagudo
2017
The smartAPI ecosystem for making web APIs FAIR
S Dastgheib, T Whetzel, A Zaveri, C Afrasiabe, P Assis, P Availlach, ...
ISWC2017, the 16e International Semantic Web Conference 1931, 1-4, 2017
112017
smartAPI: towards a more intelligent network of Web APIs
M Dumontier, S Dastgheib, T Whetzel, P Assisi, P Aviilach, K Jagodnik, ...
the 25th conference on Intelligent Systems for Molecular Biology and the …, 2017
12017
Abstract A33: Discovery of novel anti-cancer therapeutic agents for Notch activation complex kinase (NACK) targeting the Notch pathway
X Zhu, Z Wang, K Jin, L Astudillo, W Zhou, J Chen, P Buchwald, ...
Clinical Cancer Research 23 (1_Supplement), A33-A33, 2017
2017
High quality, small molecule-activity datasets for kinase research
R Sharma, SC Schürer, SM Muskal
F1000Research 5, Chem Inf Sci-1366, 2016
202016
Combinatorial compound stratification based on integration of LINCS, TCGA and PubChem data
V Stathias, B Allen, J Clarke, NG Ayad, S Schürer
Cancer Research 76 (14_Supplement), 775-775, 2016
2016
High quality, small molecule-activity datasets for kinase research [version 2; referees: 2 approved]
R Sharma, SC Schürer, SM Muskal
Volume, 2016
12016
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 biology
B Allen, S Mehta, N Ayad, S Schuerer
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016
2016
Ontologies for classifying and modeling drug discovery data
S Schuerer, AY Lin, S Mehta, HK McGinty, Q Cheng, A Koleti, N Zadeh, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016
2016
Community training and outreach activities of the BD2K-LINCS data coordination and integration center (DCIC)
S Jenkins, S Schürer, M Medvedovic, AM Ayan
F1000Research, 2016
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 He
ICBO/BioCreative, 2016
2016
Building Concordant Ontologies for Drug Discovery.
H Küçük-McGinty, S Mehta, Y Lin, N Nabizadeh, V Stathias, D Vidovic, ...
ICBO/BioCreative, 2016
12016
High quality, small molecule-activity datasets for kinase research [version 1; referees: awaiting peer review]
R Sharma, SC Schürer, SM Muskal
2016
Selective targeting of extracellular insulin-degrading enzyme by quasi-irreversible thiol-modifying inhibitors
SO Abdul-Hay, TD Bannister, H Wang, MD Cameron, TR Caulfield, ...
ACS chemical biology 10 (12), 2716-2724, 2015
242015
Noribogaine is a G-protein biased κ-opioid receptor agonist
EL Maillet, N Milon, MD Heghinian, J Fishback, SC Schürer, ...
Neuropharmacology 99, 675-688, 2015
552015
Large-scale computational screening identifies first in class multitarget inhibitor of EGFR kinase and BRD4
BK Allen, S Mehta, SWJ Ember, E Schonbrunn, N Ayad, SC Schürer
Scientific reports 5 (1), 1-16, 2015
622015
Discovery of small molecule insulin-degrading enzyme inhibitors
H Wang, T Bannister, S Abdul-Hay, M Leissring, F Madoux, S Schurer, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015
2015
Ligand-and structure-based virtual screening to discover dual EGFR and BRD4 inhibitors
B Allen, S Mehta, N Ayad, S Schürer
Cancer Research 75 (15_Supplement), 3690-3690, 2015
22015
An integrated bioinformatics approach for identifying patient-specific gene networks and novel therapeutic targets in glioblastoma
V Stathias, C Pastori, R Komotar, M Zhang, S Schürer, J Clarke, NG Ayad
Cancer Research 75 (15_Supplement), 65-65, 2015
2015
Screening of cell cycle fusion proteins to identify kinase signaling networks
M Trojanowsky, D Vidovic, S Simanski, C Penas, S Schurer, NG Ayad
Cell Cycle 14 (8), 1274-1281, 2015
12015
Noribogaine is a Mixed Agonist/Antagonist Opioid Ligand with Profound Functional Selectivity
E Maillet, N Milon, J Fishback, S Schürer, M Heghinian, N Garamszegi, ...
The FASEB Journal 29, LB505, 2015
2015
Using the BioAssay Ontology for analyzing high-throughput screening data
L Zander Balderud, D Murray, N Larsson, U Vempati, SC Schürer, ...
Journal of biomolecular screening 20 (3), 402-415, 2015
152015
Epigenetic pathways and glioblastoma treatment: insights from signaling cascades
BK Allen, V Stathias, ME Maloof, D Vidovic, EF Winterbottom, ...
Journal of cellular biochemistry 116 (3), 351-363, 2015
202015
GSK3 inhibitors stabilize Wee1 and reduce cerebellar granule cell progenitor proliferation
C Penas, JK Mishra, SD Wood, SC Schürer, WR Roush, NG Ayad
Cell Cycle 14 (3), 417-424, 2015
152015
BioAssay Research Database (BARD): chemical biology and probe-development enabled by structured metadata and result types
EA Howe, A de Souza, DL Lahr, S Chatwin, P Montgomery, BR Alexander, ...
Nucleic acids research 43 (D1), D1163-D1170, 2015
242015
CLO: the cell line ontology
S Sarntivijai, Y Lin, Z Xiang, TF Meehan, AD Diehl, UD Vempati, ...
Journal of biomedical semantics 5 (1), 1-10, 2014
1042014
DD-01LIGAND-AND STRUCTURE-BASED VIRTUAL SCREENING TO DISCOVER POLYPHARMACOLOGICAL DUAL EGFR AND BRD4 INHIBITORS
B Allen, S Mehta, N Ayad, S Schürer
Neuro-Oncology 16 (Suppl 5), v60, 2014
12014
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 Schürer
Frontiers in genetics 5, 342, 2014
842014
Fast and accurate semantic annotation of bioassays exploiting a hybrid of machine learning and user confirmation
AM Clark, BA Bunin, NK Litterman, SC Schürer, U Visser
PeerJ 2, e524, 2014
252014
Allosteric inhibition of the IRE1α RNase preserves cell viability and function during endoplasmic reticulum stress
R Ghosh, L Wang, ES Wang, BGK Perera, A Igbaria, S Morita, K Prado, ...
Cell 158 (3), 534-548, 2014
4182014
Casein kinase 1δ-dependent Wee1 protein degradation
C Penas, V Ramachandran, S Simanski, C Lee, F Madoux, RJ Rahaim, ...
Journal of Biological Chemistry 289 (27), 18893-18903, 2014
252014
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, 2014
262014
Evolving BioAssay Ontology (BAO): modularization, integration and applications
S Abeyruwan, UD Vempati, H Küçük-McGinty, U Visser, A Koleti, A Mir, ...
Journal of biomedical semantics 5 (1), 1-22, 2014
902014
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, 2014
802014
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], 2014
152014
Metadata Standard and Data Exchange Specifications to Describe, Model, and Integrate Complex and
JL Muhlich, G Berriz, CH Benes, A Subramanian, A Pillai, CE Shamu, ...
Journal of Biomolecular Screening 1, 14, 2014
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
2014
GPCR ontology: development and application of a G protein-coupled receptor pharmacology knowledge framework
MJ Przydzial, B Bhhatarai, A Koleti, U Vempati, SC Schürer
Bioinformatics 29 (24), 3211-3219, 2013
412013
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 Bologa
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 246, 2013
2013
Semantic annotation of PubChem databases
G Fu, C Batchelor, M Dumontier, J Hastings, H Kuecuek, SC Schurer, ...
2013
A sphingosine 1-phosphate receptor 2 selective allosteric agonist
H Satsu, MT Schaeffer, M Guerrero, A Saldana, C Eberhart, P Hodder, ...
Bioorganic & medicinal chemistry 21 (17), 5373-5382, 2013
582013
Development of highly selective casein kinase 1δ/1ε (CK1δ/ε) inhibitors with potent antiproliferative properties
M Bibian, RJ Rahaim, JY Choi, Y Noguchi, S Schürer, W Chen, ...
Bioorganic & medicinal chemistry letters 23 (15), 4374-4380, 2013
782013
A chemical proteomics approach to profiling the ATP-binding proteome of Mycobacterium tuberculosis
LM Wolfe, U Veeraraghavan, S Idicula-Thomas, S Schuerer, ...
Molecular & cellular proteomics 12 (6), 1644-1660, 2013
482013
Chemical interrogation of the neuronal kinome using a primary cell-based screening assay
H Al-Ali, SC Schürer, VP Lemmon, JL Bixby
ACS chemical biology 8 (5), 1027-1036, 2013
382013
BioAssay Research Database: A platform to support the collection, management, and analysis of chemical biology data
R Guha, D Lahr, J Bittker, TDY Chung, M Southern, S Chatwin, JJ Yang, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013
2013
ML328: a novel dual inhibitor of bacterial AddAB and RecBCD helicase-nuclease DNA repair enzymes
TD Bannister, R Nair, T Spicer, VF Vega, C Eberhart, BA Mercer, ...
Probe Reports from the NIH Molecular Libraries Program [Internet], 2013
42013
Identification of small molecule inhibitors of Wee1 degradation and mitotic entry
S Simanski, F Madoux, RJ Rahaim, P Chase, S Schurer, M Cameron, ...
Probe Reports from the NIH Molecular Libraries Program [Internet], 2013
32013
Potent anti-diabetic actions of a novel non-agonist PPARγ ligand that blocks Cdk5-mediated phosphorylation
TM Kamenecka, SA Busby, N Kumar, JH Choi, AS Banks, D Vidovic, ...
Probe Reports from the NIH Molecular Libraries Program [Internet], 2013
152013
Kinome-wide activity modeling from diverse public high-quality data sets
SC Schürer, SM Muskal
Journal of chemical information and modeling 53 (1), 27-38, 2013
552013
PrOntoLearn: unsupervised lexico-semantic ontology generation using probabilistic methods
S Abeyruwan, U Visser, V Lemmon, S Schürer
Uncertainty Reasoning for the Semantic Web II: International Workshops URSW …, 2013
62013
Development of highly selective casein kinase 1d/1e (CK1d/e) inhibitors with potent antiproliferative properties
M Bibian, RJ Rahaim, JY Choi, Y Noguchi, S Schürer, W Chen, ...
Bioorg Med Chem Lett 23 (15), 4374-4380, 2013
92013
Tu1894 Ultrahigh-Throughput Screening Strategies for Identification of Small-Molecule Compounds That Target the Colon Cancer Oncogene KrüPpel-Like Factor 5
A Bialkowska, ML Crisp, TD Bannister, Y He, S Chowdhury, S Schürer, ...
Gastroenterology (New York, NY 1943) 144 (5), S-874-S-874, 2013
2013
Novel Selective Allosteric and Bitopic Ligands for the S1P3 Receptor
E Jo, B Bhhatarai, E Repetto, M Guerrero, S Riley, SJ Brown, Y Kohno, ...
ACS chemical biology 7 (12), 1975-1983, 2012
602012
Novel kinase inhibitors by reshuffling ligand functionalities across the human kinome
D Vidović, SM Muskal, SC Schürer
Journal of chemical information and modeling 52 (12), 3107-3115, 2012
52012
Divergent allosteric control of the IRE1α endoribonuclease using kinase inhibitors
L Wang, BGK Perera, SB Hari, B Bhhatarai, BJ Backes, MA Seeliger, ...
Nature chemical biology 8 (12), 982-989, 2012
2132012
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, 2012
652012
Computer Aided Drug Design & QSAR
SM Muskal, SC Schurer
2012
Knowledge-based characterization of chemistry space and visualization
B Bhhatarai, S Schurer
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012
2012
Exploratory computational assessment of possible binding modes for small molecule inhibitors of the CD40–CD154 co-stimulatory interaction
L Ganesan, D Vidović, SC Schürer, P Buchwald
Die Pharmazie-An International Journal of Pharmaceutical Sciences 67 (5 …, 2012
72012
Crystal structure of a lipid G protein–coupled receptor
MA Hanson, CB Roth, E Jo, MT Griffith, FL Scott, G Reinhart, H Desale, ...
Science 335 (6070), 851-855, 2012
7742012
Compound Profiling with High-Content Screening Methodology
T Mayer, S Schurer
Chemical Genomics, 215, 2012
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
2012
Development and Applications of the Bioassay Ontology (BAO) to Describe and Categorize High-Throughput Assays
UD Vempati, SC Schürer
Eli Lilly & Company and the National Center for Advancing Translational …, 2012
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), 7107-7112, 2011
392011
BioAssay Ontology (BAO): a semantic description of bioassays and high-throughput screening results
U Visser, S Abeyruwan, U Vempati, RP Smith, V Lemmon, SC Schürer
BMC bioinformatics 12 (1), 1-16, 2011
1322011
Identification of Small-Molecule Inhibitors of the Colorectal Cancer Oncogene Krüppel-like Factor 5 Expression by Ultrahigh-Throughput ScreeninguHTS for KLF5 Inhibitors
AB Bialkowska, M Crisp, T Bannister, Y He, S Chowdhury, S Schürer, ...
Molecular cancer therapeutics 10 (11), 2043-2051, 2011
522011
Antidiabetic actions of a non-agonist PPARγ ligand blocking Cdk5-mediated phosphorylation
JH Choi, AS Banks, TM Kamenecka, SA Busby, MJ Chalmers, N Kumar, ...
Nature 477 (7365), 477-481, 2011
5552011
Small molecule–mediated activation of the integrin CD11b/CD18 reduces inflammatory disease
D Maiguel, MH Faridi, C Wei, Y Kuwano, KM Balla, D Hernandez, ...
Science signaling 4 (189), ra57-ra57, 2011
1302011
Distinct functional and conformational states of the human lymphoid tyrosine phosphatase catalytic domain can be targeted by choice of the inhibitor chemotype
D Vidović, Y Xie, A Rinderspacher, SX Deng, DW Landry, C Chung, ...
Journal of computer-aided molecular design 25, 873-883, 2011
22011
SMARTNames: a new framework to organize chemical structural information based on chemically relevant functional groups
B Bhhatarai, S Schurer
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242, 2011
22011
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, 2011
222011
Computational modeling of substrate specificity and catalysis of the β-secretase (BACE1) enzyme
A Barman, S Schürer, R Prabhakar
Biochemistry 50 (20), 4337-4349, 2011
572011
Current and Future Challenges for Collaborative Computational Technologies for the Life Sciences
AJ Williams, RJG Arnold, C Neylon, RW Spencer, S Schürer, S Ekins
Collaborative computational technologies for biomedical research, 491-518, 2011
62011
Suppression of TH17 differentiation and autoimmunity by a synthetic ROR ligand
LA Solt, N Kumar, P Nuhant, Y Wang, JL Lauer, J Liu, MA Istrate, ...
Nature 472 (7344), 491-494, 2011
5432011
Academic cross-fertilization by public screening yields a remarkable class of protein phosphatase methylesterase-1 inhibitors
DA Bachovchin, JT Mohr, AE Speers, C Wang, JM Berlin, TP Spicer, ...
Proceedings of the National Academy of Sciences 108 (17), 6811-6816, 2011
1142011
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, 2011
52011
BioAssay ontology annotations facilitate cross-analysis of diverse high-throughput screening data sets
SC Schürer, U Vempati, R Smith, M Southern, V Lemmon
Journal of biomolecular screening 16 (4), 415-426, 2011
622011
Small molecule inhibitors of Wee1 degradation and mitotic entry
F Madoux, J Mishra, BA Mercer, N Ayad, W Roush, P Hodder, HR Rosen
Probe Reports from the NIH Molecular Libraries Program [Internet], 2011
42011
Inhibition of lymphoid tyrosine phosphatase by benzofuran salicylic acids
T Vang, Y Xie, WH Liu, D Vidović, Y Liu, S Wu, DH Smith, ...
Journal of medicinal chemistry 54 (2), 562-571, 2011
372011
A Combined Ligand‐and Structure‐Based Virtual Screening Protocol Identifies Submicromolar PPARγ Partial Agonists
D Vidović, SA Busby, PR Griffin, SC Schürer
ChemMedChem 6 (1), 94-103, 2011
512011
Bioassay Ontology to Describe High-Throughput Screening Assays and their Results.
U Vempati, U Visser, S Abeyruwan, K Sakurai, M Przydzial, C Chung, ...
ICBO, 2011
22011
Tetrahydroisoquinoline derivatives as highly selective and potent Rho kinase inhibitors
X Fang, Y Yin, YT Chen, L Yao, B Wang, MD Cameron, L Lin, S Khan, ...
Journal of medicinal chemistry 53 (15), 5727-5737, 2010
662010
Discovery of potent and selective urea-based ROCK inhibitors and their effects on intraocular pressure in rats
Y Yin, MD Cameron, L Lin, S Khan, T Schröter, W Grant, J Pocas, ...
ACS medicinal chemistry letters 1 (4), 175-179, 2010
392010
Identification of the putative drug binding site for novel agonists of the integrin CD11b/CD18
DG Stoub, V Gupta, M Faridi, D Maiguel, C Barth, S Schurer
The FASEB Journal 24, 527.5-527.5, 2010
2010
High-throughput screening based identification of small molecule antagonists of integrin CD11b/CD18 ligand binding
MH Faridi, D Maiguel, BT Brown, E Suyama, CJ Barth, M Hedrick, ...
Biochemical and biophysical research communications 394 (1), 194-199, 2010
122010
Phenotypic profiling of bioactive libraries using primary neurons
O Gutierrez Arenas, H Ali-Ali, S Schuerer, J Bixby, V Lemmon
Cold Spring Harbour Meeting on Automated Imaging and High-throughput Phenotyping, 2010
2010
BAOSearch: a semantic web application for biological screening and drug discovery research
S Abeyruwan, C Chung, N Datar, F Gayanilo, A Koleti, V Lemmon, ...
Semantic Web Challenge, 9th International Semantic Web Conference (ISWC …, 2010
42010
PrOntoLearn: unsupervised lexico-semantic ontology generation using probabilistic methods
S Abeyruwan
University of Miami, 2010
82010
14 Screening Informatics
SC Schürer, NF Tsinoremas
A Practical Guide to Assay Development and High-Throughput Screening in Drug …, 2009
32009
Identification of novel agonists of the integrin CD11b/CD18
MH Faridi, D Maiguel, CJ Barth, D Stoub, R Day, S Schürer, V Gupta
Bioorganic & medicinal chemistry letters 19 (24), 6902-6906, 2009
292009
Benzothiazoles as Rho-associated kinase (ROCK-II) inhibitors
Y Yin, L Lin, C Ruiz, MD Cameron, J Pocas, W Grant, T Schröter, W Chen, ...
Bioorganic & medicinal chemistry letters 19 (23), 6686-6690, 2009
492009
Knowledge-Based Characterization of Similarity Relationships in the Human Protein− Tyrosine Phosphatase Family for Rational Inhibitor Design
D Vidovic, SC Schürer
Journal of medicinal chemistry 52 (21), 6649-6659, 2009
162009
Discovery of potent non-urea inhibitors of soluble epoxide hydrolase
Y Xie, Y Liu, G Gong, DH Smith, F Yan, A Rinderspacher, Y Feng, Z Zhu, ...
Bioorganic & medicinal chemistry letters 19 (8), 2354-2359, 2009
332009
Potent inhibitors of Huntingtin protein aggregation in a cell-based assay
A Rinderspacher, ML Cremona, Y Liu, SX Deng, Y Xie, G Gong, N Aulner, ...
Bioorganic & medicinal chemistry letters 19 (6), 1715-1717, 2009
162009
Discovery of novel small molecule cell type-specific enhancers of NF-κB nuclear translocation
G Gong, Y Xie, Y Liu, A Rinderspacher, SX Deng, Y Feng, Z Zhu, Y Tang, ...
Bioorganic & medicinal chemistry letters 19 (4), 1191-1194, 2009
82009
Kinome-wide comparison of small molecule activity predictorsfrom diverse high-quality data
S Schürer, R Sharma, SM Muskal
CICSJ bulletin 27 (4), 87-87, 2009
2009
Benzimidazole-and benzoxazole-based inhibitors of Rho kinase
EH Sessions, Y Yin, TD Bannister, A Weiser, E Griffin, J Pocas, ...
Bioorganic & medicinal chemistry letters 18 (24), 6390-6393, 2008
1002008
Chroman-3-amides as potent Rho kinase inhibitors
YT Chen, TD Bannister, A Weiser, E Griffin, L Lin, C Ruiz, MD Cameron, ...
Bioorganic & medicinal chemistry letters 18 (24), 6406-6409, 2008
552008
Discovery of substituted 4-(pyrazol-4-yl)-phenylbenzodioxane-2-carboxamides as potent and highly selective Rho kinase (ROCK-II) inhibitors
Y Feng, Y Yin, A Weiser, E Griffin, MD Cameron, L Lin, C Ruiz, ...
Journal of medicinal chemistry 51 (21), 6642-6645, 2008
952008
COMP 26-Exercising receptor-site similarity: From off-target identification to scaffold hopping
SM Muskal, SC Schurer, J Danzer, K Hambly
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 236, 2008
2008
COMP 48-Surveying ligand-and target-based similarities within the Kinome
SC Schurer, K Hambly, J Danzer, SM Muskal
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 236, 2008
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, 2008
712008
Ligand-binding pocket shape differences between S1P1 and S1P3 determine efficiency of chemical probe identification by uHTS
SC Schürer, SJ Brown, PG Cabrera, MT Schaeffer, J Chapman, E Jo, ...
ACS chemical biology 3 (8), 486, 2008
22008
Utilizing high throughput screening data for predictive toxicology models: protocols and application to MLSCN assays
R Guha, SC Schürer
Journal of computer-aided molecular design 22, 367-384, 2008
522008
Discovery of a novel submicromolar inhibitor of the lymphoid specific tyrosine phosphatase
Y Xie, Y Liu, G Gong, A Rinderspacher, SX Deng, DH Smith, U Toebben, ...
Bioorganic & medicinal chemistry letters 18 (9), 2840-2844, 2008
462008
MEDI 262-Aggregation and clearance of mutant huntingtin protein
A Rinderspacher, Y Liu, SX Deng, G Gong, Y Xie, ML Cremona, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 235, 2008
2008
MEDI 91-A nonclassical NF-kappa B pathway in HUVEC cells revealed by small molecule probes
Y Liu, G Gong, Y Xie, A Rinderspacher, SX Deng, DW Landry, M Wyler, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 235, 2008
2008
MEDI 92-Discovery of novel small molecule activators of NFkB pathway
G Gong, Y Xie, Y Liu, A Rinderspacher, SX Deng, DW Landry, M Wyler, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 235, 2008
2008
MEDI 241-Identification of small molecular inhibitors of lymphocyte specific protein tyrosine phosphatase
Y Xie, Y Liu, G Gong, A Rinderspacher, SX Deng, DW Landry, DH Smith, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 235, 2008
2008
Introducing our Authors
N Thorne, SC Schurer, SJ Brown, HL Schultheisz
ACS Chemical Biology 3 (8), 453-453, 2008
2008
Identification of N-(quinolin-8-yl) benzenesulfonamides as agents capable of down-regulating NFκB activity within two separate high-throughput screens of NFκB activation
Y Xie, SX Deng, CJ Thomas, Y Liu, YQ Zhang, A Rinderspacher, ...
Bioorganic & medicinal chemistry letters 18 (1), 329-335, 2008
302008
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, 2008
532008
COMP 483-Random forest ensembles applied to MLSCN screening data for toxicity prediction and feature selection
R Guha, S Schurer
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 234, 2007
2007
Prospective exploration of synthetically feasible, medicinally relevant chemical space
SC Schürer, P Tyagi, SM Muskal
Journal of chemical information and modeling 45 (2), 239-248, 2005
352005
Relating chemical and biological space: An in-silico platform technology approach to accelerate the discovery of novel medicinally relevant small molecules.
SC Schurer
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 227, U679-U679, 2004
2004
Assay Guidance Manual
KE Garbison, BA Heinz, ME Lajiness, JR Weidner, GS Sittampalam
Eli Lilly & Company and the National Center for Advancing Translational Sciences, 2004
212004
Separation of matching and mapping in chemical reaction transforms
S Schurer, S Muskal, S Jha, P Tyagi
US Patent App. 10/373,580, 2003
42003
Separation of matching and mapping in chemical reaction transforms
S Schurer, S Muskal, S Jha, P Tyagi
US Patent App. 10/373,580, 2003
42003
Method of flexibly generating diverse reaction chemistries
B Bunin, T Powers, G Morales, S Schurer, S Muskal, O Saunders
US Patent App. 10/300,730, 2003
22003
Chemistry resource database
B Bunin, S Schurer, S Muskal
US Patent App. 09/996,635, 2002
82002
Chemistry resource database
B Bunin
US Patent App. 09/825,135, 2002
472002
Synthese und Anwendung eines permanent immobilisierten Olefinmetathese‐Katalysators
SC Schürer, S Gessler, N Buschmann, S Blechert
Angewandte Chemie 112 (21), 4062-4065, 2000
892000
Synthesis and Application of a Permanently Immobilized Olefin‐Metathesis Catalyst
SC Schürer, S Gessler, N Buschmann, S Blechert
Angewandte Chemie International Edition 39 (21), 3898-3901, 2000
2602000
Beiträge zur Weiterentwicklung der Olefinmetathese
SC Schürer
Technische Universität Berlin, Universitätsbibliothek (Diss.-Stelle), 2000
2000
Beiträge zur Weiterentwicklung der Olefinmetathese: kombinatorische Synthese und neue Katalysatoren
SC Schürer
Berlin, Techn. Univ., Diss., 2000, 2000
2000
Sequences of yne-ene cross metathesis and Diels-Alder cycloaddition reactions-modular solid phase synthesis of substituted octahydrobenzazepinones
SC Schürer, S Blechert
Synlett 1999 (12), 1879-1882, 1999
191999
Preparation of enantioenriched α-bromo acids incorporating diverse functionality
AJ Souers, S Schürer, H Kwack, AA Virgilio, JA Ellman
Synthesis 1999 (04), 583-585, 1999
261999
A versatile synthesis of substituted tetrahydropyridines
SC Schürer, S Blechert
Tetrahedron letters 40 (10), 1877-1880, 1999
801999
Short Papers-Preparation of Enantioenriched a-Bromo Acids Incorporating Diverse Functionality
AJ Souers, S Schurer, H Kwack, AA Virgilio, JA Ellman
Synthesis-Journal of Synthetic Organic Chemistry, 583-585, 1999
1999
Synthesis of pseudo-oligosaccharides by a sequence of yne-ene cross metathesis and Diels–Alder reaction
SC Schürer, S Blechert
Chemical Communications, 1203-1204, 1999
381999
Novel inhibitors of α4β1 integrin receptor interactions through library synthesis and screening
AJ Souers, AA Virgilio, SS Schürer, JA Ellman, TP Kogan, HE West, ...
Bioorganic & medicinal chemistry letters 8 (17), 2297-2302, 1998
731998
Ruthenium-Catalyzed Yne-Ene Cross Metathesis Binding to Solid Support and Cleavage by Pd0-Catalysis
SC Schürer, S Blechert
Synlett 1998 (02), 166-168, 1998
261998
Expedient solid-phase synthesis of putative β-turn mimetics incorporating the i+ 1, i+ 2, and i+ 3 sidechains
AA Virgilio, SC Schürer, JA Ellman
Tetrahedron letters 37 (39), 6961-6964, 1996
1021996
Adaptation of a ß-turn Mimetic Synthesis Sequence to Enable the Rapid and Simultaneous Synthesis of Numerous Derivatives
S Schürer
1996
Supplemental Results
M Pilarczyk, M Fazel-Najafabadi, M Kouril, B Shamsaei, J Vasiliauskas, ...
Large-scale Computational Screening Identifies First in Class Multitarget Inhibitor of EGFR Kinase and BRD4
N Ayad, SC Schürer
Connecting omics signatures of diseases, drugs, and mechanisms of actions with iLINCS
F Reichard, V Stathias, A Koleti, D Vidovic, DJB Clark, S Schurer, ...
Kinome-wide Activity Models from Diverse High-Quality Datasets
SC Schürer, SM Muskal
Supplementary Material Identification of a novel class of BRD4 inhibitors by computational screening and binding simulations
BK 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 Reduces
AN Donnelly, LF Moita, S Schürer, D Traver, P Ruiz, DH Balla, CJ Barth, ...
BAOSearch: A Semantic Web Application for Biological Screening and Drug Discovery Research
UV Venkatapuram, S Schürer