| 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, 161727, 2017 | 125 | 2017 |
| A cascade reaction network mimicking the basic functional steps of adaptive immune response HLWT Da Han, Cuichen Wu, Mingxu You, Tao Zhang, Shuo Wan, Tao Chen, Liping ... Nature Chemistry, 2015 | 100 | 2015 |
| Development of the Knowledge-based & Empirical Combined Scoring Algorithm (KECSA) to Score Protein-Ligand Interactions. KMM Zheng Zheng Journal of Chemical Information and Modeling 53 (5), 1073–1083, 2013 | 68 | 2013 |
| Ligand identification scoring algorithm (LISA) J Zheng Zheng, Kenneth M. Merz Journal of Chemical Information and Modeling 51 (6), 1296–1306, 2011 | 44 | 2011 |
| Model for the fast estimation of basis set superposition error in biomolecular systems KMMJ John C Faver, Zheng Zheng The Journal of Chemical Physics 135 (14), 144110, 2011 | 43 | 2011 |
| DJ-1 interacts with RACK1 and protects neurons from oxidative-stress-induced apoptosis J Ma, R Wu, Q Zhang, J Wu, J Lou, Z Zheng, J Ding, Z Yuan Biochemical Journal 462 (3), 489-497, 2014 | 35 | 2014 |
| The movable type method applied to protein–ligand binding Z Zheng, MN Ucisik, KM Merz Journal of chemical theory and computation 9 (12), 5526-5538, 2013 | 31* | 2013 |
| Bringing Clarity to the Prediction of Protein-Ligand Binding Free Energies via "Blurring" KMM Melek N Ucisik, Zheng Zheng, John C Faver 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 KMMJ Mark L Benson, John C Faver, Melek N Ucisik, Danial S Dashti, Zheng Zheng Journal of computer-aided molecular design 26 (5), 647-659, 2012 | 25 | 2012 |
| On the fly estimation of host–guest binding free energies using the movable type method: participation in the SAMPL5 blind challenge N Bansal, Z Zheng, D Cerutti, K Merz Journal of Computer-Aided Molecular Design, 2016 | 23 | 2016 |
| The Role of the Active Site Flap in Streptavidin/Biotin Complex Formation KMM Nupur Bansal, Zheng Zheng, Lin Frank Song, Jun Pei Journal of the American Chemical Society, 2018 | 22 | 2018 |
| 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 |
| KECSA-Movable Type Implicit Solvation Model (KMTISM) Z Zheng, W Ting, L Pengfei, J Kenneth, M. Merz Journal of Chemical Theory and Computation, 2014 | 21 | 2014 |
| Detailed potential of mean force studies on host–guest systems from the SAMPL6 challenge LF Song, N Bansal, Z Zheng, KM Merz Journal of computer-aided molecular design 32, 1013-1026, 2018 | 20 | 2018 |
| Free Energy-Based Conformational Search Algorithm Using the Movable Type Sampling Method KMMJ Li-Li Pan, Zheng Zheng, Ting Wang Journal of Chemical Theory and Computation, 2015 | 18 | 2015 |
| Random forest refinement of pairwise potentials for protein–ligand decoy detection J Pei, Z Zheng, H Kim, LF Song, S Walworth, MR Merz, KM Merz Jr Journal of Chemical Information and Modeling 59 (7), 3305-3315, 2019 | 16 | 2019 |
| Statistics-based model for basis set superposition error correction in large biomolecules KMM John C Faver, Zheng Zheng Physical Chemistry Chemical Physics 14 (21), 7795-7799, 2012 | 16 | 2012 |
| Generation of pairwise potentials using multidimensional data mining Z Zheng, J Pei, N Bansal, H Liu, LF Song, KM Merz Jr Journal of Chemical Theory and Computation 14 (10), 5045-5067, 2018 | 13 | 2018 |
| Free Energy Calculations Using the Movable Type Method with Molecular Dynamics Driven Protein–Ligand Sampling W Liu, Z Liu, H Liu, L Westerhoff, Z Zheng Journal of Chemical Information and Modeling, 2022 | 12 | 2022 |
| Random Forest Refinement of the KECSA2 Knowledge-based Scoring Function for Protein Decoy Detection J Pei, Z Zheng, KM Merz Journal of Chemical Information and Modeling, 2019 | 11 | 2019 |
Kenneth M. Merz Jr.Staff, Lerner Research Institute; Professor, Michigan State UniversityVerified email at msu.edu