William Swope

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Jed W. PiteraPrincipal Research Staff Member, IBM ResearchAdresă de e-mail confirmată pe us.ibm.com
Julia E RiceIBMAdresă de e-mail confirmată pe us.ibm.com
Vijay PandeAndreessen Horowitz, Stanford UniversityAdresă de e-mail confirmată pe stanford.edu
John D. ChoderaMemorial Sloan-Kettering Cancer CenterAdresă de e-mail confirmată pe mskcc.org
Frank SuitsResearch Staff Member, IBM ResearchAdresă de e-mail confirmată pe us.ibm.com
Blake G. FitchIBM ResearchAdresă de e-mail confirmată pe us.ibm.com
Richard L AndersonSTFCAdresă de e-mail confirmată pe stfc.ac.uk
Michael JohnstonIBM Research EuropeAdresă de e-mail confirmată pe ie.ibm.com
Serena Michaels-Pitman, Ph.D.Lockheed MartinAdresă de e-mail confirmată pe lmco.com
Ken A. DillDirector of Laufer Center, Stony Brook UniversityAdresă de e-mail confirmată pe laufercenter.org
Henry F. Schaefer IIIProfessor of Chemistry, University of GeorgiaAdresă de e-mail confirmată pe uga.edu
Laura HaasUniversity of Massachusetts AmherstAdresă de e-mail confirmată pe cics.umass.edu
robert millerAdjunct Prof. Material Science 7 Engineering, Stanford universityAdresă de e-mail confirmată pe stanford.edu
David J. BraySTFCAdresă de e-mail confirmată pe stfc.ac.uk
Jeffry MaduraProfessor of Chemistry & Biochemistry, Duquesne UniversityAdresă de e-mail confirmată pe duq.edu
Sasha RayshubskiyRowland Fellow | PI @ Rowland Institute, Harvard UniversityAdresă de e-mail confirmată pe rowland.harvard.edu
Michael R. ShirtsProfessor of Chemical and Biological Engineering, University of Colorado BoulderAdresă de e-mail confirmată pe colorado.edu
David CeruttiRutgersAdresă de e-mail confirmată pe rutgers.edu
Lee-Ping WangDepartment of Chemistry, UC DavisAdresă de e-mail confirmată pe ucdavis.edu
Martin GruebeleUniversity of Illinois at Urbana-ChampaignAdresă de e-mail confirmată pe illinois.edu

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William Swope

IBM Almaden Research Center

Adresă de e-mail confirmată pe gene.com

Computational Chemistry


Titlu Sortați după descrierea bibliografică Sortați după an Sortați după titlu	Citat de Citat de	Anul
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	5590	1982
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	2336	2004
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	776	2003
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	756	2007
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	555	2007
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	532	2004
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	489	1983
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	447	2003
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	401	2001
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	356	2001
-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	354	1990
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	288	2008
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	267	2006
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	263	2017
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	227	2004
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	211	2004
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	172	2003
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	147	1984
Characterization of the TIP4P-Ew water model: Vapor pressure and boiling point HW Horn, WC Swope, JW Pitera The Journal of chemical physics 123 (19), 2005	146	2005
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	145	2012

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