| The Amber biomolecular simulation programs DA Case, TE Cheatham III, T Darden, H Gohlke, R Luo, KM Merz Jr, ... Journal of computational chemistry 26 (16), 1668-1688, 2005 | 25850* | 2005 |
| Development and testing of a general amber force field J Wang, RM Wolf, JW Caldwell, PA Kollman, DA Case Journal of computational chemistry 25 (9), 1157-1174, 2004 | 17497 | 2004 |
| A new force field for molecular mechanical simulation of nucleic acids and proteins SJ Weiner, PA Kollman, DA Case, UC Singh, C Ghio, G Alagona, ... Journal of the American Chemical Society 106 (3), 765-784, 1984 | 6376 | 1984 |
| Automatic atom type and bond type perception in molecular mechanical calculations J Wang, W Wang, PA Kollman, DA Case Journal of molecular graphics and modelling 25 (2), 247-260, 2006 | 5193 | 2006 |
| Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models PA Kollman, I Massova, C Reyes, B Kuhn, S Huo, L Chong, M Lee, T Lee, ... Accounts of chemical research 33 (12), 889-897, 2000 | 5024 | 2000 |
| An all atom force field for simulations of proteins and nucleic acids SJ Weiner, PA Kollman, DT Nguyen, DA Case Journal of computational chemistry 7 (2), 230-252, 1986 | 4479 | 1986 |
| AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and … DA Pearlman, DA Case, JW Caldwell, WS Ross, TE Cheatham III, ... Computer Physics Communications 91 (1-3), 1-41, 1995 | 3764 | 1995 |
| CHARMM-GUI input generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM simulations using the CHARMM36 additive force field J Lee, X Cheng, S Jo, AD MacKerell, JB Klauda, W Im Biophysical journal 110 (3), 641a, 2016 | 2981 | 2016 |
| Exploring protein native states and large‐scale conformational changes with a modified generalized born model A Onufriev, D Bashford, DA Case Proteins: Structure, Function, and Bioinformatics 55 (2), 383-394, 2004 | 2625 | 2004 |
| Force fields for protein simulations JW Ponder, DA Case Advances in protein chemistry 66, 27-85, 2003 | 2524 | 2003 |
| An overview of the Amber biomolecular simulation package R Salomon‐Ferrer, DA Case, RC Walker Wiley Interdisciplinary Reviews: Computational Molecular Science 3 (2), 198-210, 2013 | 2430 | 2013 |
| Continuum solvent studies of the stability of DNA, RNA, and phosphoramidate− DNA helices J Srinivasan, TE Cheatham, P Cieplak, PA Kollman, DA Case Journal of the American Chemical Society 120 (37), 9401-9409, 1998 | 1880 | 1998 |
| Generalized born models of macromolecular solvation effects D Bashford, DA Case Annual review of physical chemistry 51 (1), 129-152, 2000 | 1430 | 2000 |
| Insights into protein–protein binding by binding free energy calculation and free energy decomposition for the Ras–Raf and Ras–RalGDS complexes H Gohlke, C Kiel, DA Case Journal of molecular biology 330 (4), 891-913, 2003 | 1291 | 2003 |
| Modification of the generalized Born model suitable for macromolecules A Onufriev, D Bashford, DA Case The Journal of Physical Chemistry B 104 (15), 3712-3720, 2000 | 1216 | 2000 |
| Theory and applications of the generalized Born solvation model in macromolecular simulations V Tsui, DA Case Biopolymers: Original Research on Biomolecules 56 (4), 275-291, 2000 | 1188 | 2000 |
| Converging free energy estimates: MM‐PB (GB) SA studies on the protein–protein complex Ras–Raf H Gohlke, DA Case Journal of computational chemistry 25 (2), 238-250, 2004 | 953 | 2004 |
| Orbital interactions, electron delocalization and spin coupling in iron-sulfur clusters L Noodleman, CY Peng, DA Case, JM Mouesca Coordination Chemistry Reviews 144, 199-244, 1995 | 946 | 1995 |
| Parmbsc1: a refined force field for DNA simulations I Ivani, PD Dans, A Noy, A Pérez, I Faustino, A Hospital, J Walther, ... Nature methods 13 (1), 55-58, 2016 | 899 | 2016 |
| Three-dimensional solution structure of a single zinc finger DNA-binding domain MS Lee, GP Gippert, KV Soman, DA Case, PE Wright Science 245 (4918), 635-637, 1989 | 897 | 1989 |
Thomas E. Cheatham, IIIProfessor of Medicinal Chemistry; Director Research Computing; University of Utah在 utah.edu 的电子邮件经过验证
