448 search results - page 10 / 90 » Molecular Dynamics Simulation and Visualization |
IPPS
2008
IEEE
14 years 1 months ago
2008
IEEE
Processing nodes of the Cray XT and IBM Blue Gene Massively Parallel Processing (MPP) systems are composed of multiple execution units, sharing memory and network subsystems. Thes...
WSC
1998
13 years 8 months ago
1998
We have taken a NIST molecular dynamics simulation program (md3), which was configured as a single sequential process running on a CRAY C90 vector supercomputer, and parallelized ...
PPOPP
2006
ACM
14 years 1 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...
BMCBI
2008
13 years 7 months ago
2008
Background: Recent approaches for predicting the three-dimensional (3D) structure of proteins such as de novo or fold recognition methods mostly rely on simplified energy potentia...
FCCM
2004
IEEE
13 years 11 months ago
2004
IEEE
Current high-performance applications are typically implemented on large-scale general-purpose distributed or multiprocessing systems often based on commodity microprocessors. Fie...