Parallel implementation of the Replica Exchange Molecular Dynamics Algorithm on Blue Gene/L
- M. Eleftheriou
- A. Rayshubski
- et al.
- 2006
- IPDPS 2006
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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