2 search results - page 1 / 1 » Multi-level grid algorithms for faster molecular energetics |
SMA
2010
ACM
13 years 5 months ago
2010
ACM
Bio-molecules reach their stable configuration in solvent which is primarily water with a small concentration of salt ions. One approximation of the total free energy of a bio-mol...
JCC
2008
13 years 3 months ago
2008
: An asynchronous implementation of the replica exchange method that addresses some of the limitations of conventional synchronous replica exchange implementations is presented. In...