Publications

Total Publications= 197
TitleCited ByYear
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, 2020
2020
TCRD and Pharos 2021: mining the human proteome for disease biology
TK Sheils, SL Mathias, KJ Kelleher, VB Siramshetty, DT Nguyen, ...
Nucleic Acids Research, 2020
22020
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
12020
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
22020
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
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
172020
Machine and deep learning approaches for cancer drug repurposing
NT Issa, V Stathias, S Schürer, S Dakshanamurthy
Seminars in Cancer Biology, 2020
102020
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, ...
bioRxiv, 2020
12020
Multiplex-inhibitor bead mass spectrometry reveals differential kinome signatures in newly diagnosed and recurrent glioblastoma
AD Jermakowicz, AM Kurimchak, J Sarkaria, R Komotar, ME Ivan, ...
bioRxiv, 2020
2020
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
2020
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
2019
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
22019
The Clinical Kinase Index: Prioritizing Understudied Kinases as Targets for the Treatment of Cancer
D Essegian, R Khurana, V Stathias, S Schürer
CR-MEDICINE-D-19-00012, 2019
12019
Identification of Tractable Drug-like eIF4Al Inhibitors with Potent Anti-Tumor Activity
TA Cunningham, D Essegian, S Schürer, JH Schatz
Blood, The Journal of the American Society of Hematology 134 (Supplement_1 …, 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
FAIRshake: Toolkit to evaluate the FAIRness of research digital resources
R de Miranda Azevedo, DJ Cooper, S Schurer, J Williams, ...
Cell Systems 9 (5), 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
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
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 (5), 237-247, 2019
32019
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
782019
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
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), 1-18, 2019
62019
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
92019
DrugCentral 2018: an update
O Ursu, J Holmes, CG Bologa, JJ Yang, SL Mathias, V Stathias, ...
Nucleic acids research 47 (D1), D963-D970, 2019
442019
Connecting omics signatures of diseases, drugs, and mechanisms of actions with iLINCS
M Pilarczyk, MF Najafabadi, M Kouril, J Vasiliauskas, W Niu, B Shamsaei, ...
bioRxiv, 826271, 2019
82019
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
42019
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
How to Develop a Drug Target Ontology: KNowledge Acquisition and Representation Methodology (KNARM)
HK McGinty, U Visser, S Schürer
Bioinformatics and Drug Discovery, 49-69, 2019
12019
Kinome-wide activity classification of small molecules by deep learning
BK Allen, NG Ayad, SC Schürer
bioRxiv, 512459, 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), 1-13, 2018
252018
Far away from the lamppost
TI Oprea, L Jan, GL Johnson, BL Roth, A Ma’ayan, S Schürer, ...
PLoS biology 16 (12), e3000067, 2018
42018
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
2018
Computational Identification of Tractable Drug-like Inhibitors of eIF4A1
D Essegian, TA Cunningham, JH Schatz, S Schurer
Blood 132 (Supplement 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 (Supplement 1), 2719-2719, 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
132018
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
122018
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
162018
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
1262018
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
22018
Drug repositioning in glioblastoma: a pathway perspective
SK Tan, A Jermakowicz, AK Mookhtiar, CB Nemeroff, SC Schürer, ...
Frontiers in pharmacology 9, 218, 2018
352018
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
1642018
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
732018
FAIRsharing: working with and for the community to describe and link data standards, repositories and policies
SA Sansone, P McQuilton, P Rocca-Serra, A Gonzalez-Beltran, M Izzo, ...
bioRxiv, 245183, 2018
8*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), 43-53, 2017
102017
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
312017
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
102017
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
132017
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
122017
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
222017
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
232017
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
1262017
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
92017
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 (2394), 2394, 2016
82016
Community training and outreach activities of the BD2K-LINCS data coordination and integration center (DCIC)
S Jenkins, S Schürer, M Medvedovic, A Ma'ayan
F1000Research 5, 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 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
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
112016
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
162015
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
382015
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
412015
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
12015
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
142015
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
142015
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
102015
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
222015
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
632014
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
632014
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
182014
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
2852014
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
172014
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 (S1), S5, 2014
622014
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
672014
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
102014
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
382013
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
422013
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
502013
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
442013
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
322013
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, ...
Probe Reports from the NIH Molecular Libraries Program [Internet], 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, ...
Probe Reports from the NIH Molecular Libraries Program [Internet], 2013
22013
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
102013
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
452013
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, 4374-4380, 2013
32013
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
492012
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
1602012
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
542012
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
Ontogenesis
P Lord
Ontogenesis, 2012
32012
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
62012
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
6472012
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
42012
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
342011
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
1102011
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
432011
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
872011
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
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
4622011
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
212011
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
472011
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
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
1062011
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, ...
PNAS 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
552011
Suppression of TH 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), 491-494, 2011
4462011
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
342011
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
432011
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
12011
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, 2010
122010
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
542010
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
332010
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
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
412009
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
142009
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
292009
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
122009
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
712008
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
502008
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
782008
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
652008
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 (6-7), 367-384, 2008
502008
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
422008
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
242008
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
482008
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
362005
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
1652004
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
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
342002
Synthese und Anwendung eines permanent immobilisierten Olefinmetathese‐Katalysators
SC Schürer, S Gessler, N Buschmann, S Blechert
Angewandte Chemie 112 (21), 4062-4065, 2000
862000
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
2432000
Beiträge zur Weiterentwicklung der Olefinmetathese
SC Schürer
2000
Beiträge zur Weiterentwicklung der Olefinmetathese: Kombinatorische Synthese und Neue Katalysatoren
DCSC Schürer
2000
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
231999
A versatile synthesis of substituted tetrahydropyridines
SC Schürer, S Blechert
Tetrahedron letters 40 (10), 1877-1880, 1999
771999
Sequences of yne-ene cross metathesis and Diels-Alder cycloaddition reactions-Modular solid phase synthesis of substituted octahydrobenzazepinones
SC Schürer, S Blechert
Synlett, 1879-1882, 1999
141999
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
391999
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
701998
Ruthenium-catalyzed yne-ene cross metathesis binding to solid support and cleavage by Pd0-catalysis
SC Schuerer, S Blechert
Synlett, 166-168, 1998
221998
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
961996
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○
CW Goulding, MI Apostol, S Gleiter, A Parseghian, J Bardwell, M Gennaro, ...
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