Carlos Simmerling
Carlos Simmerling
Marsha Laufer Chair in Physical & Quantitative Biology, SUNY Stony Brook
Verifierad e-postadress på stonybrook.edu - Startsida
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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
76202005
Amber 10
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2008
63102008
Amber 11
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2010
62762010
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
59292006
AMBER 9
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
University of California, San Francisco 45, 2006
41102006
AMBER 5.0
DA Case, DA Pearlman, JW Caldwell, TE Cheatham III, WS Ross, ...
University of California, San Francisco, 1997
3927*1997
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
37362015
Gaussian Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford Ct 2009, 2009
2770*2009
AMBER 2015
DA Case, J Berryman, RM Betz, DS Cerutti, TE Cheatham Iii, TA Darden, ...
University of California, 2015
22072015
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
6632002
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
460*2004
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
3872006
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
3242007
amber (University of California, San Francisco)
DA Case, DA Pearlman, JW Caldwell, TE Cheatham III, J Wang, WS Ross, ...
There is no corresponding record for this reference.[Google Scholar], 2006
298*2006
AMBER 12; University of California: San Francisco, 2012
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
There is no corresponding record for this reference, 1-826, 0
279
San Francisco: University of California
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
2742012
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
2462013
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
2302009
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, 0
215
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
2142010
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Artiklar 1–20