269 search results - page 9 / 54 » Reconfigurable Molecular Dynamics Simulator |
JCC
2008
13 years 11 months ago
2008
Abstract: Molecular dynamics simulations of the RN24 peptide, which includes a diverse set of structurally heterogeneous states, are carried out in explicit solvent. Two approaches...
VIS
2004
IEEE
15 years 6 days ago
2004
IEEE
In this article we explore techniques to detect and visualize features in data from molecular dynamics (MD) simulations. Although the techniques proposed are general, we focus on ...
FPL
2009
Springer
14 years 2 months ago
2009
Springer
The acceleration of molecular dynamics (MD) simulations using high performance reconfigurable computing (HPRC) has been much studied. Given the intense competition from multicore...
IPPS
2008
IEEE
14 years 5 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
14 years 10 days 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 ...