| 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 | 5517 | 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 | 2292 | 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 | 772 | 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 | 753 | 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 | 550 | 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 | 528 | 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 | 484 | 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 | 403 | 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 | 360 | 1990 |
| 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 | 354 | 2001 |
| 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 | 275 | 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 | 269 | 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 | 253 | 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 | 228 | 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 | 209 | 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 |
| 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 |
| 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 | 142 | 2005 |
Jed W. PiteraPrincipal Research Staff Member, IBM ResearchVerified email at us.ibm.com
