J. Faver

发表

The Energy Computation Paradox and ab initio Protein Folding

Kenneth M. Merz, Bing Wang, John C. Faver, 2011, PloS one.

The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions.

Alexander D. MacKerell, Daniel G. A. Smith, K. Merz, 2017, The Journal of chemical physics.

Formal Estimation of Errors in Computed Absolute Interaction Energies of Protein-ligand Complexes.

C David Sherrill, Kenneth M Merz, Xiao He, 2011, Journal of chemical theory and computation.

Bringing Clarity to the Prediction of Protein–Ligand Binding Free Energies via “Blurring”

Kenneth M. Merz, John C. Faver, Melek N. Ucisik, 2014, Journal of chemical theory and computation.

DNA-encoded chemistry technology yields expedient access to SARS-CoV-2 Mpro inhibitors

D. Young, B. Sankaran, M. Matzuk, 2021, Proceedings of the National Academy of Sciences.

Quantitative Comparison of Enrichment from DNA-Encoded Chemical Library Selections

Martin M Matzuk, John C Faver, Kevin Riehle, 2019, ACS combinatorial science.

Statistics-based model for basis set superposition error correction in large biomolecules.

K. Merz, J. Faver, Zheng Zheng, 2012, Physical chemistry chemical physics : PCCP.

Computationally-guided optimization of small-molecule inhibitors of the Aurora A kinase–TPX2 protein–protein interaction

W. L. Jorgensen, D. Spring, G. McKenzie, 2017, Chemical communications.

Discovery of potent BET bromodomain 1 stereoselective inhibitors using DNA-encoded chemical library selections

D. Young, M. Matzuk, Kevin P. Riehle, 2022, Proceedings of the National Academy of Sciences of the United States of America.

C–N Coupling of DNA-Conjugated (Hetero)aryl Bromides and Chlorides for DNA-Encoded Chemical Library Synthesis

M. Matzuk, Kevin P. Riehle, J. Faver, 2020, Bioconjugate chemistry.

Palladium-Catalyzed Hydroxycarbonylation of (Hetero)aryl Halides for DNA-Encoded Chemical Library Synthesis

M. Matzuk, Kevin P. Riehle, M. Palaniappan, 2019, Bioconjugate chemistry.

A Mild, DNA-Compatible Nitro Reduction Using B2(OH)4

M. Matzuk, Kevin P. Riehle, M. Palaniappan, 2019, Organic letters.

Identifying OXA-48 Carbapenemase Inhibitors using DNA-Encoded Chemical Libraries.

James C. Campbell, B. Sankaran, M. Matzuk, 2020, ACS infectious diseases.

Structure-Guided Identification of DNMT3B Inhibitors.

Ana S. Newton, W. L. Jorgensen, K. Anderson, 2020, ACS medicinal chemistry letters.

Mass-spectrometry-based proteomic correlates of grade and stage reveal pathways and kinases associated with aggressive human cancers

S. Varambally, C. Creighton, Yiqun Zhang, 2021, Oncogene.

Error estimation in biomolecular modeling

John C. Faver, J. Faver, 2012 .

Indoloxytriazines as binding molecules for the JAK2 JH2 pseudokinase domain and its V617F variant.

Ana S. Newton, W. L. Jorgensen, J. Schlessinger, 2021, Tetrahedron letters.

Discovery of potent thrombin inhibitors from a protease-focused DNA-encoded chemical library

M. Matzuk, J. Faver, K. Bohren, 2020, Proceedings of the National Academy of Sciences.

Discovery and characterization of bromodomain 2–specific inhibitors of BRDT

D. Young, B. Sankaran, M. Matzuk, 2021, Proceedings of the National Academy of Sciences.

Pairwise additivity of energy components in protein-ligand binding: the HIV II protease-Indinavir case.

Kenneth M Merz, John C Faver, Danial S. Dashti, 2011, The Journal of chemical physics.

The Utility of the HSAB Principle via the Fukui Function in Biological Systems.

Kenneth M Merz, K. Merz, J. Faver, 2010, Journal of chemical theory and computation.

Fragment-based error estimation in biomolecular modeling.

K. Merz, J. Faver, 2014, Drug discovery today.

Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores

Zheng Zheng, Kenneth M. Merz, John C. Faver, 2012, Journal of Computer-Aided Molecular Design.

Model for the fast estimation of basis set superposition error in biomolecular systems.

K. Merz, J. Faver, Zheng Zheng, 2011, The Journal of chemical physics.

Supporting Information for “Quantitative Comparison of Enrichment from DNA-Encoded Chemical Library Selections”

M. Matzuk, Kevin P. Riehle, J. Faver, 2018 .

DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors

D. Young, B. Sankaran, M. Matzuk, 2023, Communications chemistry.

The Effects of Computational Modeling Errors on the Estimation of Statistical Mechanical Variables.

Wei Yang, Kenneth M Merz, John C Faver, 2012, Journal of chemical theory and computation.