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 | 10093 | 2005 |
Amber 10; 2008 DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco, 2008 | 9066* | 2008 |
Amber 2021 DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021 | 5786 | 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 | 5045* | |
AMBER 9; 2006 DA Case, TA Dardern, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco, 2006 | 3704* | 2006 |
Amber 14 DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ... University of California, San Francisco, 2014 | 654* | 2014 |
AMBER 2018, University of California, San Francisco, 2018 DA Case, JT Berryman, RM Betz, DS Cerutti, TE Cheatham III, TA Darden, ... There is no corresponding record for this reference, 2018 | 548* | 2018 |
Accelerated Poisson–Boltzmann calculations for static and dynamic systems R Luo, L David, MK Gilson Journal of computational chemistry 23 (13), 1244-1253, 2002 | 548 | 2002 |
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 | 510 | 2018 |
AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of Chemical Information and Modeling 63 (20), 6214–6224, 2023 | 449 | 2023 |
AMBER 12 University of California DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... San Francisco 1 (3), 2012 | 399* | 2012 |
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 | 325 | 2010 |
Implicit nonpolar solvent models C Tan, YH Tan, R Luo The Journal of Physical Chemistry B 111 (42), 12263-12274, 2007 | 276 | 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 | 260 | 2006 |
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 | 227 | 2016 |
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 | 220 | 2011 |
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 | 203 | 2006 |
A Poisson–Boltzmann dynamics method with nonperiodic boundary condition Q Lu, R Luo The Journal of chemical physics 119 (21), 11035-11047, 2003 | 192 | 2003 |
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 | 181 | 2017 |
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 | 178 | 2011 |