Publications

Total Publications= 156
TitleCited ByYear
Computational Identification of Tractable Drug-like Inhibitors of eIF4A1
D Essegian, TA Cunningham, JH Schatz, S Schurer
Blood 132 (Suppl 1), 5802-5802, 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 (Suppl 1), 2719-2719, 2018
2018
DrugCentral 2018: an update
O Ursu, J Holmes, CG Bologa, JJ Yang, SL Mathias, V Stathias, ...
Nucleic acids research, 2018
2018
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, 180117, 2018
2018
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
12018
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, 2018
172018
CEDAR: Semantic Web Technology to Support Open Science
MA Musen, SA Sansone, KH Cheung, SH Kleinstein, M Crafts, ...
Companion of the The Web Conference 2018 on The Web Conference 2018, 427-428, 2018
2018
Drug Repositioning in Glioblastoma: A Pathway Perspective
SK Tan, A Jermakowicz, AK Mookhtiar, CB Nemeroff, SC Schürer, ...
Frontiers in pharmacology 9, 218, 2018
62018
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, 2018
2018
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), 556, 2017
22017
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), 50, 2017
52017
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, 2017
402017
Learning reference-enriched approach towards large scale active ontology alignment and integration
Q Cheng, O Ursu, TI Oprea, S Schurer
Bioinformatics and Biomedicine (BIBM), 2017 IEEE International Conference on …, 2017
2017
The ontology reference model for visual selectivity analysis in drug-target interactions
Q Cheng, FA Lopez, C Duran, C Camarillo, TI Oprea, S Schurer
Bioinformatics and Biomedicine (BIBM), 2017 IEEE International Conference on …, 2017
2017
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, 2017
202017
From flamingo dance to (desirable) drug discovery: a nature-inspired approach
A Sánchez-Rodríguez, Y Perez-Castillo, SC Schürer, O Nicolotti, ...
Drug discovery today 22 (10), 1489-1502, 2017
52017
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
32017
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
72017
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
72017
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
32017
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
32017
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
2017
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
RNA-seq assembler artifacts can bias expression counts and differential expression analysis-case study on the chickpea transcriptome emphasizes importance of freely accessible …
S Chakraborty
F1000Research 5, 2016
42016
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, 2016
362016
Formal ontologies and software tools to facilitate integration, classification and modeling of drug discovery data
S Schurer, AY Lin, H McGinty, Q Cheng, A Koleti, N Zadeh, D Vidovic
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016
2016
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
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
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 Metha, Y Lin, N Nabizadeh, V Stathias, D Vidovic, ...
ICBO/BioCreative, 2016
2016
High quality, small molecule-activity datasets for kinase research [version 1; referees: awaiting peer review]
R Sharma, SC Schürer, SM Muskal
2016
High quality, small molecule-activity datasets for kinase research
R Sharma, SC Schürer, SM Muskal
F1000Research 5, 2016
52016
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
172015
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, 16924, 2015
292015
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
102015
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
2015
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 (1_supplement), 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
102015
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
92015
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
42015
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, ...
Nucleic acids research 43 (D1), D1163-D1170, 2014
182014
CLO: the cell line ontology
S Sarntivijai, Y Lin, Z Xiang, TF Meehan, AD Diehl, UD Vempati, ...
Journal of biomedical semantics 5 (1), 37, 2014
412014
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
2014
Large-scale integration of small molecule-induced genome-wide transcriptional responses, Kinome-wide binding affinities and cell-growth inhibition profiles reveal global trends …
D Vidović, A Koleti, SC Schürer
Frontiers in genetics 5, 342, 2014
432014
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
122014
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
1552014
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
202014
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), S5, 2014
442014
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
572014
ML345, A Small-Molecule Inhibitor of the Insulin-Degrading Enzyme (IDE)
TD Bannister, H Wang, SO Abdul-Hay, A Masson, F Madoux, J Ferguson, ...
National Center for Biotechnology Information (US), 2014
52014
Casein Kinase 1δ Dependent Wee1 Degradation
C Penas, V Ramachandran, S Simanski, C Lee, F Madoux, RJ Rahaim, ...
Journal of Biological Chemistry, jbc. M114. 547661, 2014
112014
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
322013
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
262013
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
262013
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 144 (5), S-874, 2013
2013
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, ...
National Center for Biotechnology Information (US), 2013
22013
Identification of small molecule inhibitors of Wee1 degradation and mitotic entry
S Simanski, F Madoux, RJ Rahaim, P Chase, S Schurer, M Cameron, ...
National Center for Biotechnology Information (US), 2013
32013
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
292013
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, ...
National Center for Biotechnology Information (US), 2013
82013
A chemical proteomics approach to profiling the ATP-binding proteome of Mycobacterium tuberculosis
LM Wolfe, U Veeraraghavan, S Idicula-Thomas, S Schurer, K Wennerberg, ...
Molecular & Cellular Proteomics, mcp. M112. 025635, 2013
332013
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
302013
PrOntoLearn: unsupervised lexico-semantic ontology generation using probabilistic methods
S Abeyruwan, U Visser, V Lemmon, S Schürer
Uncertainty Reasoning for the Semantic Web II, 217-236, 2013
62013
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
982012
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
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
432012
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
302012
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
42012
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
5462012
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
12012
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
272011
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), 257, 2011
852011
Small molecule–mediated activation of the integrin CD11b/CD18 reduces inflammatory disease
D Maiguel, MH Faridi, C Wei, Y Kuwano, KM Balla, D Hernandez, ...
Sci. Signal. 4 (189), ra57-ra57, 2011
602011
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 (9), 873, 2011
22011
Identification of small-molecule inhibitors of the colorectal cancer oncogene Krüppel-like factor 5 expression by ultrahigh-throughput screening
A Bialkowska, M Crisp, T Bannister, Y He, S Chowdhury, S Schurer, ...
Molecular cancer therapeutics, molcanther. 0550.2011, 2011
372011
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, 2011
3842011
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
202011
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
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
422011
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
872011
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, ...
Proc. Natl. Acad. Sci. USA 108, 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
462011
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, 2011
3762011
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
372011
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
2011
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, 2010
302010
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
412010
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
292010
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 (1_supplement), 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
52010
PrOntoLearn: unsupervised lexico-semantic ontology generation using probabilistic methods
SW Abeyruwan
62010
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, V Lemmon, C Mader, ...
42010
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
202009
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
382009
Knowledge-Based Characterization of Similarity Relationships in the Human Protein− Tyrosine Phosphatase Family for Rational Inhibitor Design
D Vidović, SC Schürer
Journal of medicinal chemistry 52 (21), 6649-6659, 2009
112009
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
222009
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
102009
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
632008
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
432008
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
642008
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 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
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
642008
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 (6-7), 367-384, 2008
472008
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
382008
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
202008
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, ...
Journal of biomolecular screening 13 (1), 17-28, 2008
422008
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
292005
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
Separation of matching and mapping in chemical reaction transforms
S Schurer, S Muskal, S Jha, P Tyagi
US Patent App. 10/373,580, 2003
32003
Separation of matching and mapping in chemical reaction transforms
S Schurer, S Muskal, S Jha, P Tyagi
US Patent App. 10/373,580, 2003
32003
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
12003
Chemistry resource database
B Bunin, S Schurer, S Muskal
US Patent App. 09/996,635, 2002
42002
Chemistry resource database
B Bunin
US Patent App. 09/825,135, 2002
312002
Synthese und Anwendung eines permanent immobilisierten Olefinmetathese‐Katalysators
SC Schürer, S Gessler, N Buschmann, S Blechert
Angewandte Chemie 112 (21), 4062-4065, 2000
842000
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
2222000
Beiträge zur Weiterentwicklung der Olefinmetathese
SC Schürer
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
161999
Preparation of enantioenriched α-bromo acids incorporating diverse functionality
AJ Souers, S Schuerer, H Kwack, AA Virgilio, JA Ellman
Synthesis 1999 (04), 583-585, 1999
191999
A versatile synthesis of substituted tetrahydropyridines
SC Schürer, S Blechert
Tetrahedron letters 40 (10), 1877-1880, 1999
751999
Synthesis of pseudo-oligosaccharides by a sequence of yne-ene cross metathesis and Diels–Alder reaction
SC SchŘrer
Chemical Communications, 1203-1204, 1999
361999
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
681998
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
241998
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
981996
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○
ET Larson, EA Merritt
Bio-Ontologies SIG
UD Vempati, H Küçük, S Abeyruwan, U Visser, A Mir, V Lemmon, ...
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