Carlos Simmerling

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Soavtorji

Thomas E. Cheatham, IIIProfessor of Medicinal Chemistry; Director Research Computing; University of UtahPreverjeni e-poštni naslov na utah.edu
Kenneth M. Merz Jr.Staff, Lerner Research Institute; Professor, Michigan State UniversityPreverjeni e-poštni naslov na msu.edu
Asim OkurScientific Information Officer, National Institute of Mental Health, NIHPreverjeni e-poštni naslov na nih.gov
David A CaseRutgers UniversityPreverjeni e-poštni naslov na biomaps.rutgers.edu
Ray LuoMol Bio & Biochem; Chem & Mater Phys; Chem & Biomol Engr; Biomed Engr; Mater Sci & EngrPreverjeni e-poštni naslov na uci.edu
Lauren WickstromCUNYPreverjeni e-poštni naslov na bmcc.cuny.edu
Adrian RoitbergFrank Harris Professor. Department of Chemistry. University of Florida.Preverjeni e-poštni naslov na ufl.edu
koushik kasavajhalaSenior Scientist II, SchrödingerPreverjeni e-poštni naslov na schrodinger.com
Ross C WalkerPreverjeni e-poštni naslov na sdsc.edu
Peter TongeStony Brook UniversityPreverjeni e-poštni naslov na stonybrook.edu
Arthur P. GrollmanProfessor of Pharmacological Sciences, Stony Brook UniversityPreverjeni e-poštni naslov na stonybrook.edu
Daniel R. RoeLaboratory of Computational Biology, NHLBI, NIHPreverjeni e-poštni naslov na nih.gov
Alexey OnufrievVirginia TechPreverjeni e-poštni naslov na vt.edu
Christina BergonzoResearch Chemist, NIST/IBBRPreverjeni e-poštni naslov na nist.gov
Kun SongAstraZenecaPreverjeni e-poštni naslov na astrazeneca.com
Hai NguyenSchrödinger, IncPreverjeni e-poštni naslov na schrodinger.com
Ron ElberU of Texas at Austin, The Inst for Comput Eng and Sci, and MiTOMED PHARMA, Inc.Preverjeni e-poštni naslov na ices.utexas.edu
Daniel RaleighPreverjeni e-poštni naslov na stonybrook.edu
Robert C. RizzoProfessor, Stony Brook UniversityPreverjeni e-poštni naslov na stonybrook.edu
Xiaolin ChengProfessor, The Ohio State UniversityPreverjeni e-poštni naslov na osu.edu

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Carlos Simmerling

Marsha Laufer Chair in Physical & Quantitative Biology, SUNY Stony Brook

Preverjeni e-poštni naslov na stonybrook.edu - Domača stran

Computational Biophysics


Naslov Razvrsti po navedbah Razvrsti po letniku Razvrsti po naslovu	Navedeno Navedeno	Leto
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	10537	2005
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	9885	2015
Amber 11 DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, 2010	8864	2010
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	7704	2006
Amber 2023 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ... University of California, San Francisco, 2023	5939	2023
AMBER 9 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco 45, 2006	3584	2006
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	1558	2019
Amber 10 DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ... University of California, 2008	802*	2008
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	730	2002
AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023	655	2023
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	520	2013
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	470	2007
AMBER 14; University of California: San Francisco, 2014 DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ... There is no corresponding record for this reference, 1-826, 2014	464	2014
Amber 14 DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ... University of California, 2014	462*	2014
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	454	2006
AMBER 5.0 DA Case, DA Pearlman, JW Caldwell, TE Cheatham III, WS Ross, ... University of California, San Francisco, 1997	373*	1997
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	329*	2004
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	297	2010
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	260	2009
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	251	2014

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