Characterization of the TIP4P-Ew water model: Vapor pressure and boiling point
- Hans W. Horn
- William C. Swope
- et al.
- 2005
- Journal of Chemical Physics
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
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55 results for William C. Swope
Custom math functions for molecular dynamics
- Robert F. Enenkel
- Blake G. Fitch
- et al.
- 2005
- IBM J. Res. Dev
Overview of molecular dynamics techniques and early scientific results from the Blue Gene project
- Frank Suits
- Michael C. Pitman
- et al.
- 2005
- IBM J. Res. Dev
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
- Hans W. Horn
- William C. Swope
- et al.
- 2004
- Journal of Chemical Physics
Describing protein folding kinetics by molecular dynamics simulations. 1. Theory
- William C. Swope
- Jed W. Pitera
- et al.
- 2004
- Journal of Physical Chemistry B
Describing protein folding kinetics by molecular dynamics simulations. 2. Example applications to alanine dipeptide and a β-hairpin peptide
- William C. Swope
- Jed W. Pitera
- et al.
- 2004
- Journal of Physical Chemistry B
Heterogeneous Folding of the trpzip Hairpin: Full Atom Simulation and Experiment
- Wei Yuan Yang
- Jed W. Pitera
- et al.
- 2004
- Journal of Molecular Biology
Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins
- Michael R. Shirts
- Jed W. Pitera
- et al.
- 2003
- Journal of Chemical Physics
Blue Matter, an application framework for molecular simulation on Blue Gene
- B.G. Fitch
- R.S. Germain
- et al.
- 2003
- Journal of Parallel and Distributed Computing
Blue Gene: A vision for protein science using a petaflop supercomputer
- F.E. Allen
- G. Almasi
- et al.
- 2001
- IBM Systems Journal