112 search results - page 9 / 23 » FPGA-Based Multigrid Computation for Molecular Dynamics Simu... |
104
Voted
SC
2000
ACM
15 years 4 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...
102
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HPCC
2005
Springer
15 years 5 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...
114
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ISVC
2009
Springer
15 years 5 months 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
15 years 6 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...
121
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COMPGEOM
2005
ACM
15 years 2 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...