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Thomas E. Cheatham, III
Thomas E. Cheatham, III
Professor of Medicinal Chemistry; Director Research Computing; University of Utah
Bestätigte E-Mail-Adresse bei utah.edu - Startseite
Titel
Zitiert von
Zitiert von
Jahr
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
17790*2005
AMBER 4.1
DA Case, JW Caldwell, WS Ross, TE Cheatham III, DM Ferguson, ...
Department of Pharmaceutical Chemistry, University of California: San …, 1995
8189*1995
Amber 10
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2008
7196*2008
Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models
PA Kollman, I Massova, C Reyes, B Kuhn, S Huo, L Chong, M Lee, T Lee, ...
Accounts of chemical research 33 (12), 889-897, 2000
42362000
PTRAJ and CPPTRAJ: software for processing and analysis of molecular dynamics trajectory data
DR Roe, TE Cheatham III
Journal of chemical theory and computation 9 (7), 3084-3095, 2013
38862013
AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and …
DA Pearlman, DA Case, JW Caldwell, WS Ross, TE Cheatham III, ...
Computer Physics Communications 91 (1-3), 1-41, 1995
35451995
Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations
IS Joung, TE Cheatham III
The journal of physical chemistry B 112 (30), 9020-9041, 2008
25382008
Refinement of the AMBER force field for nucleic acids: improving the description of α/γ conformers
A Pérez, I Marchán, D Svozil, J Sponer, TE Cheatham III, CA Laughton, ...
Biophysical journal 92 (11), 3817-3829, 2007
21072007
Continuum solvent studies of the stability of DNA, RNA, and phosphoramidate− DNA helices
J Srinivasan, TE Cheatham, P Cieplak, PA Kollman, DA Case
Journal of the American Chemical Society 120 (37), 9401-9409, 1998
16771998
A modified version of the Cornell et al. force field with improved sugar pucker phases and helical repeat.
TE Cheatham 3rd, P Cieplak, PA Kollman
Journal of biomolecular structure & dynamics 16 (4), 845, 1999
10421999
Molecular dynamics simulations on solvated biomolecular systems: the particle mesh Ewald method leads to stable trajectories of DNA, RNA, and proteins
TEIII Cheatham, JL Miller, T Fox, TA Darden, PA Kollman
Journal of the American Chemical Society 117 (14), 4193-4194, 1995
8841995
Clustering molecular dynamics trajectories: 1. Characterizing the performance of different clustering algorithms
J Shao, SW Tanner, N Thompson, TE Cheatham
Journal of chemical theory and computation 3 (6), 2312-2334, 2007
7602007
AMBER 4.1
DA Pearlman, DA Case, JW Caldwell, WS Ross, TE Cheatham III, ...
University of California, San Francisco 45, 1995
7221995
Refinement of the Cornell et al. nucleic acids force field based on reference quantum chemical calculations of glycosidic torsion profiles
M Zgarbová, M Otyepka, J Šponer, A Mládek, P Banáš, ...
Journal of chemical theory and computation 7 (9), 2886-2902, 2011
6992011
Amber 2021
DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ...
University of California, San Francisco, 2021
490*2021
AMBER 10; University of California: San Francisco, 2008
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
Google Scholar There is no corresponding record for this reference, 2008
4772008
Molecular dynamics simulations of the dynamic and energetic properties of alkali and halide ions using water-model-specific ion parameters
IS Joung, TE Cheatham III
The Journal of Physical Chemistry B 113 (40), 13279-13290, 2009
4632009
Molecular dynamics simulation of nucleic acids
PA Kollman, TE Cheatham III
Annu. Rev. Phys. Chem 51, 435-471, 2000
445*2000
The flying ice cube: velocity rescaling in molecular dynamics leads to violation of energy equipartition
SC Harvey, RKZ Tan, TE Cheatham III
Journal of computational chemistry 19 (7), 726-740, 1998
4361998
Molecular dynamics simulation of nucleic acids: successes, limitations, and promise
TE Cheatham III, MA Young
Biopolymers: Original Research on Biomolecules 56 (4), 232-256, 2000
4262000
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