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David A Case
David A Case
Verified email at biomaps.rutgers.edu - Homepage
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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
19168*2005
Development and testing of a general amber force field
J Wang, RM Wolf, JW Caldwell, PA Kollman, DA Case
Journal of computational chemistry 25 (9), 1157-1174, 2004
153302004
A new force field for molecular mechanical simulation of nucleic acids and proteins
SJ Weiner, PA Kollman, DA Case, UC Singh, C Ghio, G Alagona, ...
Journal of the American Chemical Society 106 (3), 765-784, 1984
61881984
AMBER 22 Reference Manual
DA Case, RE Duke, RC Walker, NR Skrynnikov, TE Cheatham III, ...
University of California, 2022
47682022
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
45592000
Automatic atom type and bond type perception in molecular mechanical calculations
J Wang, W Wang, PA Kollman, DA Case
Journal of molecular graphics and modelling 25 (2), 247-260, 2006
45542006
An all atom force field for simulations of proteins and nucleic acids
SJ Weiner, PA Kollman, DT Nguyen, DA Case
Journal of computational chemistry 7 (2), 230-252, 1986
44021986
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
36821995
Exploring protein native states and large‐scale conformational changes with a modified generalized born model
A Onufriev, D Bashford, DA Case
Proteins: Structure, Function, and Bioinformatics 55 (2), 383-394, 2004
24042004
Force fields for protein simulations
JW Ponder, DA Case
Advances in protein chemistry 66, 27-85, 2003
23282003
CHARMM-GUI input generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM simulations using the CHARMM36 additive force field
J Lee, X Cheng, JM Swails, MS Yeom, PK Eastman, JA Lemkul, S Wei, ...
Journal of chemical theory and computation 12 (1), 405-413, 2016
21812016
An overview of the Amber biomolecular simulation package
R Salomon‐Ferrer, DA Case, RC Walker
Wiley Interdisciplinary Reviews: Computational Molecular Science 3 (2), 198-210, 2013
19902013
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
17721998
Generalized born models of macromolecular solvation effects
D Bashford, DA Case
Annual review of physical chemistry 51 (1), 129-152, 2000
13752000
Insights into protein–protein binding by binding free energy calculation and free energy decomposition for the Ras–Raf and Ras–RalGDS complexes
H Gohlke, C Kiel, DA Case
Journal of molecular biology 330 (4), 891-913, 2003
12012003
Theory and applications of the generalized Born solvation model in macromolecular simulations
V Tsui, DA Case
Biopolymers: Original Research on Biomolecules 56 (4), 275-291, 2000
11692000
Modification of the generalized Born model suitable for macromolecules
A Onufriev, D Bashford, DA Case
The Journal of Physical Chemistry B 104 (15), 3712-3720, 2000
11382000
Orbital interactions, electron delocalization and spin coupling in iron-sulfur clusters
L Noodleman, CY Peng, DA Case, JM Mouesca
Coordination Chemistry Reviews 144, 199-244, 1995
9021995
Converging free energy estimates: MM‐PB (GB) SA studies on the protein–protein complex Ras–Raf
H Gohlke, DA Case
Journal of computational chemistry 25 (2), 238-250, 2004
8962004
Three-dimensional solution structure of a single zinc finger DNA-binding domain
MS Lee, GP Gippert, KV Soman, DA Case, PE Wright
Science 245 (4918), 635-637, 1989
8681989
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