592 search results - page 1 / 119 » Large Scale Simulation of Parallel Molecular Dynamics |
IPPS
1999
IEEE
13 years 8 months ago
1999
IEEE
This paper aims to describe the implementation of TAKAKAW, an efficient parallel application for the simulation of molecular dynamics designed to handle large proteins in biology....
ICPP
2006
IEEE
13 years 10 months ago
2006
IEEE
— Molecular Dynamics (MD) is an important atomistic simulation technique, with widespread use in computational chemistry, biology, and materials. An important limitation of MD is...
BICOB
2009
Springer
13 years 11 months ago
2009
Springer
Atomistic molecular dynamics (MD) simulations are a vital tool in chemical research, as they are able to provide a view of chemical systems and processes that is not obtainable thr...
SC
2005
ACM
13 years 10 months ago
2005
ACM
PPOPP
2006
ACM
13 years 10 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...