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William Swope
William Swope
IBM Almaden Research Center
Verified email at gene.com
Title
Cited by
Cited by
Year
A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters
WC Swope, HC Andersen, PH Berens, KR Wilson
The Journal of chemical physics 76 (1), 637-649, 1982
52451982
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
HW Horn, WC Swope, JW Pitera, JD Madura, TJ Dick, GL Hura, ...
The Journal of chemical physics 120 (20), 9665-9678, 2004
21562004
Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins
MR Shirts, JW Pitera, WC Swope, VS Pande
The Journal of chemical physics 119 (11), 5740-5761, 2003
7502003
Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics
JD Chodera, N Singhal, VS Pande, KA Dill, WC Swope
The Journal of chemical physics 126 (15), 2007
7392007
Use of the weighted histogram analysis method for the analysis of simulated and parallel tempering simulations
JD Chodera, WC Swope, JW Pitera, C Seok, KA Dill
Journal of Chemical Theory and Computation 3 (1), 26-41, 2007
5362007
Describing protein folding kinetics by molecular dynamics simulations. 1. Theory
WC Swope, JW Pitera, F Suits
The Journal of Physical Chemistry B 108 (21), 6571-6581, 2004
4942004
The role of long ranged forces in determining the structure and properties of liquid water
TA Andrea, WC Swope, HC Andersen
The Journal of chemical physics 79, 4576, 1983
4771983
Understanding folding and design: Replica-exchange simulations of``Trp-cage''miniproteins
JW Pitera, W Swope
Proceedings of the National Academy of Sciences 100 (13), 7587-7592, 2003
4422003
DiscoveryLink: A system for integrated access to life sciences data sources
LM Haas, PM Schwarz, P Kodali, E Kotlar, JE Rice, WC Swope
IBM systems Journal 40 (2), 489-511, 2001
3972001
-particle molecular-dynamics study of homogeneous nucleation of crystals in a supercooled atomic liquid
WC Swope, HC Andersen
Physical Review B 41 (10), 7042, 1990
3611990
Blue Gene: A vision for protein science using a petaflop supercomputer
F Allen, G Almasi, W Andreoni, D Beece, BJ Berne, A Bright, J Brunheroto, ...
IBM systems journal 40 (2), 310-327, 2001
3522001
Long-time protein folding dynamics from short-time molecular dynamics simulations
JD Chodera, WC Swope, JW Pitera, KA Dill
Multiscale Modeling & Simulation 5 (4), 1214-1226, 2006
2692006
The Reaction Mechanism for the Organocatalytic Ring-Opening Polymerization of l-Lactide Using a Guanidine-Based Catalyst: Hydrogen-Bonded or Covalently …
A Chuma, HW Horn, WC Swope, RC Pratt, L Zhang, BGG Lohmeijer, ...
Journal of the American Chemical Society 130 (21), 6749-6754, 2008
2592008
Building a more predictive protein force field: a systematic and reproducible route to AMBER-FB15
LP Wang, KA McKiernan, J Gomes, KA Beauchamp, T Head-Gordon, ...
The Journal of Physical Chemistry B 121 (16), 4023-4039, 2017
2332017
Describing protein folding kinetics by molecular dynamics simulations. 2. Example applications to alanine dipeptide and a β-hairpin peptide
WC Swope, JW Pitera, F Suits, M Pitman, M Eleftheriou, BG Fitch, ...
The Journal of Physical Chemistry B 108 (21), 6582-6594, 2004
2242004
Heterogeneous folding of the trpzip hairpin: full atom simulation and experiment
WY Yang, JW Pitera, WC Swope, M Gruebele
Journal of molecular biology 336 (1), 241-251, 2004
2062004
Method and system for organizing an annotation structure and for querying data and annotations
AR Bays, LM Haas, HW Horn, JE Rice, PM Schwarz, WC Swope
US Patent 6,519,603, 2003
1702003
A molecular dynamics method for calculating the solubility of gases in liquids and the hydrophobic hydration of inert-gas atoms in aqueous solution
WC Swope, HC Andersen
The Journal of Physical Chemistry 88 (26), 6548-6556, 1984
1431984
Heterogeneous multi-level extendable indexing for general purpose annotation systems
BJ Cragun, JE Rice, PM Schwarz, WC Swope, HT Tran
US Patent 8,321,470, 2012
1412012
Computer simulation study of the melting transition in two dimensions
K Bagchi, HC Andersen, W Swope
Physical review letters 76 (2), 255, 1996
1361996
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