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Carlos Simmerling
Carlos Simmerling
Marsha Laufer Chair in Physical & Quantitative Biology, SUNY Stony Brook
Verified email at stonybrook.edu - Homepage
Title
Cited by
Cited by
Year
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
100362005
Amber 11
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2010
84792010
ff14SB: improving the accuracy of protein side chain and backbone parameters from ff99SB
JA Maier, C Martinez, K Kasavajhala, L Wickstrom, KE Hauser, ...
Journal of chemical theory and computation 11 (8), 3696-3713, 2015
84172015
Comparison of multiple Amber force fields and development of improved protein backbone parameters
V Hornak, R Abel, A Okur, B Strockbine, A Roitberg, C Simmerling
Proteins: Structure, Function, and Bioinformatics 65 (3), 712-725, 2006
73072006
Amber 2021
DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ...
University of California, San Francisco, 2021
51082021
AMBER 9
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
University of California, San Francisco 45, 2006
36932006
ff19SB: Amino-acid-specific protein backbone parameters trained against quantum mechanics energy surfaces in solution
C Tian, K Kasavajhala, KAA Belfon, L Raguette, H Huang, AN Migues, ...
Journal of chemical theory and computation 16 (1), 528-552, 2019
9852019
All-atom structure prediction and folding simulations of a stable protein
C Simmerling, B Strockbine, AE Roitberg
Journal of the American Chemical Society 124 (38), 11258-11259, 2002
7172002
AMBER 8, University of California, San Francisco
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
There is no corresponding record for this reference, 2004
608*2004
Amber 10
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2008
551*2008
Improved generalized born solvent model parameters for protein simulations
H Nguyen, DR Roe, C Simmerling
Journal of chemical theory and computation 9 (4), 2020-2034, 2013
4602013
HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations
V Hornak, A Okur, RC Rizzo, C Simmerling
Proceedings of the National Academy of Sciences 103 (4), 915-920, 2006
4402006
Generalized Born model with a simple, robust molecular volume correction
J Mongan, C Simmerling, JA McCammon, DA Case, A Onufriev
Journal of chemical theory and computation 3 (1), 156-169, 2007
4332007
AMBER 5.0
DA Case, DA Pearlman, JW Caldwell, TE Cheatham III, WS Ross, ...
University of California, San Francisco, 1997
3421997
Three-dimensional molecular theory of solvation coupled with molecular dynamics in Amber
T Luchko, S Gusarov, DR Roe, C Simmerling, DA Case, J Tuszynski, ...
Journal of chemical theory and computation 6 (3), 607-624, 2010
2892010
Evaluating the performance of the ff99SB force field based on NMR scalar coupling data
L Wickstrom, A Okur, C Simmerling
Biophysical journal 97 (3), 853-856, 2009
2602009
AMBER 14; University of California: San Francisco, 2014
DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ...
Google Scholar There is no corresponding record for this reference, 1-826, 2014
2392014
Folding simulations for proteins with diverse topologies are accessible in days with a physics-based force field and implicit solvent
H Nguyen, J Maier, H Huang, V Perrone, C Simmerling
Journal of the American Chemical Society 136 (40), 13959-13962, 2014
2342014
MOIL: A program for simulations of macromolecules
R Elber, A Roitberg, C Simmerling, R Goldstein, H Li, G Verkhivker, ...
Computer Physics Communications 91 (1-3), 159-189, 1995
2071995
Drug design: structure-and ligand-based approaches
KM Merz Jr, D Ringe, CH Reynolds
Cambridge University Press, 2010
2012010
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Articles 1–20