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 | 9613 | 2005 |
Amber 10; 2008 DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco, 2008 | 8885* | 2008 |
Amber 2021 DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021 | 5186 | 2021 |
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations Y Duan, C Wu, S Chowdhury, MC Lee, G Xiong, W Zhang, R Yang, ... J. Comput. Chem 24, 1999-2012, 0 | 4940* | |
AMBER 9; 2006 DA Case, TA Dardern, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco, 2006 | 3711* | 2006 |
Amber 14 DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ... University of California, San Francisco, 2014 | 645* | 2014 |
Accelerated Poisson–Boltzmann calculations for static and dynamic systems R Luo, L David, MK Gilson Journal of computational chemistry 23 (13), 1244-1253, 2002 | 531 | 2002 |
AMBER 12 J Wang, RE Duke, R Luo, RC Walker, W Zhang, KM Merz, B Roberts, ... University of California: San Francisco, 2012 | 476* | 2012 |
Recent Developments and Applications of the MMPBSA Method C Wang, DA Greene, L Xiao, R Qi, R Luo Frontiers in Molecular Biosciences 4, 87, 2018 | 448 | 2018 |
AMBER11. University of California, San Francisco DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... Google Scholar There is no corresponding record for this reference, 2010 | 314 | 2010 |
Implicit nonpolar solvent models C Tan, YH Tan, R Luo The Journal of Physical Chemistry B 111 (42), 12263-12274, 2007 | 260 | 2007 |
New-generation amber united-atom force field L Yang, C Tan, MJ Hsieh, J Wang, Y Duan, P Cieplak, J Caldwell, ... The journal of physical chemistry B 110 (26), 13166-13176, 2006 | 247 | 2006 |
Virtual screening using molecular simulations T Yang, JC Wu, C Yan, Y Wang, R Luo, MB Gonzales, KN Dalby, P Ren Proteins: Structure, Function, and Bioinformatics 79 (6), 1940-1951, 2011 | 212 | 2011 |
AMBER 2018; 2018 DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham III, ... University of California, San Francisco, 2018 | 209* | 2018 |
Calculating protein–ligand binding affinities with MMPBSA: Method and error analysis C Wang, PH Nguyen, K Pham, D Huynh, TBN Le, H Wang, P Ren, R Luo Journal of computational chemistry 37 (27), 2436-2446, 2016 | 202 | 2016 |
How well does Poisson−Boltzmann implicit solvent agree with explicit solvent? A quantitative analysis C Tan, L Yang, R Luo The Journal of Physical Chemistry B 110 (37), 18680-18687, 2006 | 193 | 2006 |
A Poisson–Boltzmann dynamics method with nonperiodic boundary condition Q Lu, R Luo The Journal of chemical physics 119 (21), 11035-11047, 2003 | 185 | 2003 |
Development of polarizable models for molecular mechanical calculations I: parameterization of atomic polarizability J Wang, P Cieplak, J Li, T Hou, R Luo, Y Duan The Journal of Physical Chemistry B 115 (12), 3091-3099, 2011 | 168 | 2011 |
The IDP-Specific Force Field ff14IDPSFF Improves the Conformer Sampling of Intrinsically Disordered Proteins D Song, R Luo, HF Chen Journal of Chemical Information and Modeling 57 (5), 1166-1178, 2017 | 165 | 2017 |
An analysis of the interactions between the Sem− 5 SH3 domain and its ligands using molecular dynamics, free energy calculations, and sequence analysis W Wang, WA Lim, A Jakalian, J Wang, J Wang, R Luo, CI Bayly, ... Journal of the American Chemical Society 123 (17), 3986-3994, 2001 | 160 | 2001 |