112 search results - page 9 / 23 » FPGA-Based Multigrid Computation for Molecular Dynamics Simu... |
SC
2000
ACM
14 years 9 days 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...
HPCC
2005
Springer
14 years 1 months ago
2005
Springer
In this paper a new and powerful computer simulation capability for the characterization of carbonaceous nanoparticle assemblies across multiple, connected scales, starting from th...
ISVC
2009
Springer
14 years 15 days ago
2009
Springer
Abstract. Research domains that deal with complex molecular systems often employ computer-based thermodynamics simulations to study molecular interactions and investigate phenomena...
IPPS
2006
IEEE
14 years 1 months ago
2006
IEEE
The Replica Exchange method is a popular approach for studying the folding thermodynamics of small to modest size proteins in explicit solvent, since it is easily parallelized. Ho...
COMPGEOM
2005
ACM
13 years 10 months ago
2005
ACM
We present an efficient algorithm for maintaining the boundary and surface area of protein molecules as they undergo conformational changes. We also describe a robust implementati...