William Swope
William Swope
IBM Almaden Research Center
No verified email
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
41251982
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
16032004
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
6502003
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), 04B616, 2007
6242007
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
4342007
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
4092004
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
4091983
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
4072003
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
3762001
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
3332001
-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
3191990
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
2282006
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
2162008
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
1962004
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
1952004
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
1662003
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
1362017
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
1321984
Computer simulation study of the melting transition in two dimensions
K Bagchi, HC Andersen, W Swope
Physical review letters 76 (2), 255, 1996
1221996
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
1062012
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