Publications

Title Cited By Year
Drug Repositioning in Glioblastoma: A Pathway Perspective
SK Tan, A Jermakowicz, AK Mookhtiar, CB Nemeroff, SC Schürer, ...
Frontiers in pharmacology 9, 218, 2018
2018
Unexplored therapeutic opportunities in the human genome
TI Oprea, CG Bologa, S Brunak, A Campbell, GN Gan, A Gaulton, ...
Nature Reviews Drug Discovery, 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
2017
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
2 2017
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
7 2017
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...
A Koleti, R Terryn, V Stathias, C Chung, DJ Cooper, JP Turner, D Vidović, ...
Nucleic acids research 46 (D1), D558-D566, 2017
7 2017
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
1 2017
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
2 2017
Systemic QSAR and phenotypic virtual screening: chasing butterflies in drug discovery
M Cruz-Monteagudo, S Schürer, E Tejera, Y Pérez-Castillo, ...
Drug discovery today 22 (7), 994-1007, 2017
4 2017
From flamingo dance to (desirable) drug discovery: a nature-inspired approach
A Sánchez-Rodríguez, Y Pérez-Castillo, SC Schürer, O Nicolotti, ...
Drug discovery today, 2017
2 2017
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
3 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
1 2017
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 fr...
S Chakraborty
F1000Research 5, 2016
4 2016
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
16 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
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
4 2016
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
13 2015
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
20 2015
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
8 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
1 2015
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
9 2015
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
7 2015
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
4 2015
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
16 2014
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
33 2014
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 g...
D Vidović, A Koleti, SC Schürer
Frontiers in genetics 5, 342, 2014
32 2014
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
11 2014
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
123 2014
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
12 2014
An overview of the challenges in designing, integrating, and delivering BARD: a public chemical-biology resource and query portal for multiple organizations, locatio...
A De Souza, JA Bittker, DL Lahr, S Brudz, S Chatwin, TI Oprea, A Waller, ...
Journal of biomolecular screening 19 (5), 614-627, 2014
20 2014
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
36 2014
Metadata standard and data exchange specifications to describe, model, and integrate complex and diverse high-throughput screening data from the Library of Integ...
UD Vempati, C Chung, C Mader, A Koleti, N Datar, D Vidović, D Wrobel, ...
Journal of biomolecular screening 19 (5), 803-816, 2014
46 2014
ML345, A Small-Molecule Inhibitor of the Insulin-Degrading Enzyme (IDE)
TD Bannister, H Wang, SO Abdul-Hay, A Masson, F Madoux, J Ferguson, ...
National Center for Biotechnology Information (US), 2014
4 2014
Uma D. Vempati1, Caty Chung1, Chris Mader1, Amar Koleti1, Nakul Datar1, Dušica Vidovic, David Wrobel2, Sean Erickson2, Jeremy L. Muhlich3, Gabriel Berriz3, C...
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
28 2013
Data curation and formal BioAssay Ontology (BAO)-based annotations of the DrugMatrix enable bioactivity-based target-relationship analysis and demonstrate incor...
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
22 2013
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
24 2013
A chemical proteomics approach to profiling the ATP-binding proteome of Mycobacterium tuberculosis
LM Wolfe, U Veeraraghavan, S Idicula-Thomas, S Schürer, K Wennerberg, ...
Molecular & Cellular Proteomics 12 (6), 1644-1660, 2013
30 2013
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
2 2013
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
3 2013
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
28 2013
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
7 2013
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
28 2013
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
2 2013
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
87 2012
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
5 2012
Formalization, annotation and analysis of diverse drug and probe screening assay datasets using the BioAssay Ontology (BAO)
UD Vempati, MJ Przydzial, C Chung, S Abeyruwan, A Mir, K Sakurai, ...
PloS one 7 (11), e49198, 2012
37 2012
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
29 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
3 2012
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
513 2012
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
2012
Discovery and optimization of indoles and 7-azaindoles as Rho kinase (ROCK) inhibitors (part-I)
S Chowdhury, EH Sessions, JR Pocas, W Grant, T Schröter, L Lin, C Ruiz, ...
Bioorganic & medicinal chemistry letters 21 (23), 7107-7112, 2011
25 2011
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
80 2011
Identification of small-molecule inhibitors of the colorectal cancer oncogene Krüppel-like factor 5 expression by ultrahigh-throughput screening
AB Bialkowska, M Crisp, T Bannister, Y He, S Chowdhury, S Schürer, ...
Molecular cancer therapeutics 10 (11), 2043-2051, 2011
35 2011
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
57 2011
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
2 2011
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
344 2011
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
2 2011
Cell Line Ontology: Redesigning the Cell Line Knowledgebase to Aid Integrative Translational Informatics.
S Sarntivijai, Z Xiang, TF Meehan, AD Diehl, U Vempati, SC Schürer, ...
ICBO 833, 25-32, 2011
17 2011
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
6 2011
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
38 2011
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
81 2011
Organic Synthesis Toward Small-Molecule Probes and Drugs Special Feature: Academic cross-fertilization by public screening yields a remarkable class of protein...
DA Bachovchin, JT Mohr, AE Speers, C Wang, JM Berlin, TP Spicer, ...
Proc. Natl. Acad. Sci. USA 108, 6811-6816, 2011
5 2011
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
44 2011
Suppression of T H 17 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
348 2011
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
34 2011
Bioassay Ontology to Describe High-Throughput Screening Assays and their Results.
U Vempati, U Visser, S Abeyruwan, K Sakurai, M Przydzial, C Chung, ...
ICBO, 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
25 2010
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
39 2010
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
28 2010
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
5 2010
PrOntoLearn: unsupervised lexico-semantic ontology generation using probabilistic methods
SW Abeyruwan
8 2010
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, ...
4 2010
14 Screening Informatics
SC Schürer, NF Tsinoremas
A Practical Guide to Assay Development and High-Throughput Screening in Drug …, 2009
3 2009
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
18 2009
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
35 2009
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
11 2009
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
22 2009
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
10 2009
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
8 2009
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
59 2008
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
43 2008
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
64 2008
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
2 2008
Ligand-binding pocket shape differences between sphingosine 1-phosphate (S1P) receptors S1P1 and S1P3 determine efficiency of chemical probe identification b...
SC Schürer, SJ Brown, PJ Gonzalez-Cabrera, MT Schaeffer, ...
ACS chemical biology 3 (8), 486-498, 2008
62 2008
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
44 2008
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
36 2008
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 act...
Y Xie, SX Deng, CJ Thomas, Y Liu, YQ Zhang, A Rinderspacher, ...
Bioorganic & medicinal chemistry letters 18 (1), 329-335, 2008
18 2008
Comparison of miniaturized time-resolved fluorescence resonance energy transfer and enzyme-coupled luciferase high-throughput screening assays to discover inh...
T Schröter, D Minond, A Weiser, C Dao, J Habel, T Spicer, P Chase, ...
Journal of biomolecular screening 13 (1), 17-28, 2008
42 2008
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
27 2005
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
3 2003
Separation of matching and mapping in chemical reaction transforms
S Schurer, S Muskal, S Jha, P Tyagi
US Patent App. 10/373,580, 2003
3 2003
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
1 2003
Chemistry resource database
B Bunin, S Schurer, S Muskal
US Patent App. 09/996,635, 2002
4 2002
Chemistry resource database
B Bunin
US Patent App. 09/825,135, 2002
29 2002
Synthese und Anwendung eines permanent immobilisierten Olefinmetathese‐Katalysators
SC Schürer, S Gessler, N Buschmann, S Blechert
Angewandte Chemie 112 (21), 4062-4065, 2000
79 2000
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
212 2000
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
13 1999
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
17 1999
A versatile synthesis of substituted tetrahydropyridines
SC Schürer, S Blechert
Tetrahedron letters 40 (10), 1877-1880, 1999
71 1999
Synthesis of pseudo-oligosaccharides by a sequence of yne-ene cross metathesis and Diels–Alder reaction
SC SchŘrer
Chemical Communications, 1203-1204, 1999
36 1999
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
73 1998
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
27 1998
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
97 1996
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○
EB Lansdon
Epigenetic Pathways and Glioblastoma Treatment: Insights From Signaling Cascades
S Schurer, DJ Robbins, NG Ayad, A Giordano
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