| 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 | 161 | 2011 |
| 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 | 117 | 2017 |
| 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 | 71 | 2010 |
| 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 | 65 | 2019 |
| 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 | 61 | 2011 |
| 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 | 60 | 2019 |
| 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 | 51 | 2021 |
| 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 | 50 | 2020 |
| 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 | 49 | 2021 |
| 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 | 46 | 2020 |
| 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 | 41 | 2011 |
| 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 | 37 | 2020 |
| 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 | 32 | 2012 |
| 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 | 30 | 2021 |
| 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 | 28 | 2019 |
| 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 | 27 | 2014 |
| 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 | 25 | 2012 |
| 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 | 25 | 2011 |
| 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 | 22 | 2022 |
| 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 | 22 | 2017 |
Kenneth M. Merz Jr.University Distinguished Professor and Joseph Zichis Chair in Chemistry, Michigan State University在 msu.edu 的电子邮件经过验证
