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John C. Faver
John C. Faver
Relay Therapeutics
Verified email at relaytx.com - Homepage
Title
Cited by
Cited by
Year
Formal estimation of errors in computed absolute interaction energies of protein− ligand complexes
JC Faver, ML Benson, X He, BP Roberts, B Wang, MS Marshall, ...
Journal of chemical theory and computation 7 (3), 790-797, 2011
1602011
The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions
LA Burns, JC Faver, Z Zheng, MS Marshall, DGA Smith, ...
The Journal of chemical physics 147 (16), 2017
1132017
Utility of the hard/soft acid− base principle via the fukui function in biological systems
J Faver, KM Merz Jr
Journal of chemical theory and computation 6 (2), 548-559, 2010
712010
A Mild, DNA-Compatible Nitro Reduction Using B2(OH)4
HC Du, N Simmons, JC Faver, Z Yu, M Palaniappan, K Riehle, ...
Organic Letters 21 (7), 2194-2199, 2019
632019
The energy computation paradox and ab initio protein folding
JC Faver, ML Benson, X He, BP Roberts, B Wang, MS Marshall, ...
PloS one 6 (4), e18868, 2011
612011
Quantitative comparison of enrichment from DNA-encoded chemical library selections
JC Faver, K Riehle, DR Lancia Jr, JBJ Milbank, CS Kollmann, N Simmons, ...
ACS combinatorial science 21 (2), 75-82, 2019
602019
DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 Mpro inhibitors
S Chamakuri, S Lu, MN Ucisik, KM Bohren, YC Chen, HC Du, JC Faver, ...
Proceedings of the National Academy of Sciences 118 (36), e2111172118, 2021
492021
Discovery and characterization of bromodomain 2–specific inhibitors of BRDT
Z Yu, AF Ku, JL Anglin, R Sharma, MN Ucisik, JC Faver, F Li, ...
Proceedings of the National Academy of Sciences 118 (9), e2021102118, 2021
492021
Discovery of potent thrombin inhibitors from a protease-focused DNA-encoded chemical library
S Dawadi, N Simmons, G Miklossy, KM Bohren, JC Faver, MN Ucisik, ...
Proceedings of the National Academy of Sciences 117 (29), 16782-16789, 2020
492020
C–N coupling of DNA-conjugated (hetero) aryl bromides and chlorides for DNA-encoded chemical library synthesis
YC Chen, JC Faver, AF Ku, G Miklossy, K Riehle, KM Bohren, MN Ucisik, ...
Bioconjugate Chemistry 31 (3), 770-780, 2020
452020
Model for the fast estimation of basis set superposition error in biomolecular systems
JC Faver, Z Zheng, KM Merz
The Journal of chemical physics 135 (14), 2011
402011
Identifying oxacillinase-48 carbapenemase inhibitors using DNA-encoded chemical libraries
DM Taylor, J Anglin, S Park, MN Ucisik, JC Faver, N Simmons, Z Jin, ...
ACS infectious diseases 6 (5), 1214-1227, 2020
352020
The effects of computational modeling errors on the estimation of statistical mechanical variables
JC Faver, W Yang, KM Merz Jr
Journal of chemical theory and computation 8 (10), 3769-3776, 2012
322012
Mass-spectrometry-based proteomic correlates of grade and stage reveal pathways and kinases associated with aggressive human cancers
D Monsivais, YM Vasquez, F Chen, Y Zhang, DS Chandrashekar, ...
Oncogene 40 (11), 2081-2095, 2021
282021
Bringing clarity to the prediction of protein–ligand binding free energies via “blurring”
MN Ucisik, Z Zheng, JC Faver, KM Merz
Journal of Chemical Theory and Computation 10 (3), 1314-1325, 2014
272014
Palladium-catalyzed hydroxycarbonylation of (hetero) aryl halides for DNA-encoded chemical library synthesis
JY Li, G Miklossy, RK Modukuri, KM Bohren, Z Yu, M Palaniappan, ...
Bioconjugate chemistry 30 (8), 2209-2215, 2019
262019
Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores
ML Benson, JC Faver, MN Ucisik, DS Dashti, Z Zheng, KM Merz
Journal of computer-aided molecular design 26, 647-659, 2012
252012
Pairwise additivity of energy components in protein-ligand binding: The HIV II protease-indinavir case
MN Ucisik, DS Dashti, JC Faver, KM Merz
The Journal of chemical physics 135 (8), 2011
242011
Discovery of potent BET bromodomain 1 stereoselective inhibitors using DNA-encoded chemical library selections
RK Modukuri, Z Yu, Z Tan, HM Ta, MN Ucisik, Z Jin, JL Anglin, KL Sharma, ...
Proceedings of the National Academy of Sciences 119 (22), e2122506119, 2022
222022
GA; Vanommeslaeghe, K.; MacKerell, AD; Merz, KM; Sherrill, CD The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent …
LA Burns, JC Faver, Z Zheng, MS Marshall, D Smith
J. Chem. Phys 147 (16), 161727, 2017
222017
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