49 search results - page 1 / 10 » Performance characterization of molecular dynamics technique... |
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...
ICS
2009
Tsinghua U.
13 years 11 months ago
2009
Tsinghua U.
Molecular Dynamics applications enhance our understanding of biological phenomena through bio-molecular simulations. Large-scale parallelization of MD simulations is challenging b...
IPPS
2008
IEEE
13 years 10 months ago
2008
IEEE
NAMD† is a portable parallel application for biomolecular simulations. NAMD pioneered the use of hybrid spatial and force decomposition, a technique now used by most scalable pr...
GRID
2007
Springer
13 years 10 months ago
2007
Springer
— Biomolecular simulations play a key role in the study of complex biological processes at microscopic levels in which macromolecules such as proteins are involved. The simulatio...
SC
2000
ACM
13 years 8 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...