William C. Swope, Ph.D.
Affiliations: | IBM Almaden Research Center, San Jose, CA, United States |
Area:
molecular dynamics, computational chemistry, molecular modeling, statistical mechanics, protein folding, polymer simulationWebsite:
http://researcher.watson.ibm.com/researcher/view.php?person=almaden-swopeGoogle:
"William Swope"Mean distance: 8.67 | S | N | B | C | P |
Parents
Sign in to add mentor| Henry F. Schaefer, III | grad student | 1975-1979 | UC Berkeley |
| Hans C. Andersen | post-doc | 1979-1982 | Stanford |
Children
Sign in to add trainee| John D. Chodera | research assistant | 2005-2005 | IBM Research - Almaden |
| Lillian T. Chong | post-doc | 2005-2006 | IBM Research - Almaden |
Collaborators
Sign in to add collaborator| Vijay S. Pande | collaborator | ||
| Jed W. Pitera | collaborator | ||
| Michael R. Shirts | collaborator |
BETA: Related publications
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Publications
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| Conchuir BO, Gardner K, Jordan KE, et al. (2020) An Efficient Algorithm for Topological Characterisation of Worm-Like and Branched Micelle Structures from Simulations. Journal of Chemical Theory and Computation |
| Swope WC, Johnston MA, Duff AI, et al. (2019) The Challenge to Reconcile Experimental Micellar Properties of the CnEm Nonionic Surfactant Family. The Journal of Physical Chemistry. B |
| Visscher KM, Swope WC, Geerke DP. (2018) A QM/MM Derived Polarizable Water Model for Molecular Simulation. Molecules (Basel, Switzerland). 23 |
| Wang LP, McKiernan KA, Gomes J, et al. (2017) Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15. The Journal of Physical Chemistry. B |
| Johnston MA, Swope WC, Jordan KE, et al. (2016) Toward a Standard Protocol for Micelle Simulation. The Journal of Physical Chemistry. B |
| Vosmeer CR, Rustenburg AS, Rice JE, et al. (2012) QM/MM-Based Fitting of Atomic Polarizabilities for Use in Condensed-Phase Biomolecular Simulation. Journal of Chemical Theory and Computation. 8: 3839-53 |
| Mobley DL, Liu S, Cerutti DS, et al. (2012) Alchemical prediction of hydration free energies for SAMPL. Journal of Computer-Aided Molecular Design. 26: 551-62 |
| Prinz JH, Chodera JD, Pande VS, et al. (2011) Optimal use of data in parallel tempering simulations for the construction of discrete-state Markov models of biomolecular dynamics. The Journal of Chemical Physics. 134: 244108 |
| Chodera JD, Swope WC, Noé F, et al. (2011) Dynamical reweighting: improved estimates of dynamical properties from simulations at multiple temperatures. The Journal of Chemical Physics. 134: 244107 |
| Prigozhin MB, Sarkar K, Law D, et al. (2011) Reducing lambda repressor to the core. The Journal of Physical Chemistry. B. 115: 2090-6 |