97 search results - page 4 / 20 » Implementation of Force Distribution Analysis for Molecular ... |
HIPC
2007
Springer
14 years 4 months ago
2007
Springer
Molecular dynamics simulations are a common and often repeated task in molecular biology. The need for speeding up this treatment comes from the requirement for large system simula...
ICPP
2006
IEEE
14 years 4 months ago
2006
IEEE
— This paper presents Salsa, a novel, decentralized and asynchronous realization of the “replica exchange” algorithm for simulating the structure, function, folding, and dyna...
SC
2000
ACM
14 years 2 months ago
2000
ACM
We present an optimized parallelization scheme for molecular dynamics simulations of large biomolecular systems, implemented in the production-quality molecular dynamics program N...
CPHYSICS
2007
13 years 10 months ago
2007
A new method was proposed by Mongan et al for constant pH molecular dynamics simulation and was implemented in AMBER 8 package. Protonation states are modeled with different char...
PPOPP
2006
ACM
14 years 4 months ago
2006
ACM
Large-scale simulations and computational modeling using molecular dynamics (MD) continues to make significant impacts in the field of biology. It is well known that simulations...