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BMCBI
2010
149views more  BMCBI 2010»
13 years 7 months ago
RuleMonkey: software for stochastic simulation of rule-based models
Background: The system-level dynamics of many molecular interactions, particularly protein-protein interactions, can be conveniently represented using reaction rules, which can be...
Joshua Colvin, Michael I. Monine, Ryan N. Gutenkun...
BMCBI
2006
179views more  BMCBI 2006»
13 years 7 months ago
Multiscale Hy3S: Hybrid stochastic simulation for supercomputers
Background: Stochastic simulation has become a useful tool to both study natural biological systems and design new synthetic ones. By capturing the intrinsic molecular fluctuation...
Howard Salis, Vassilios Sotiropoulos, Yiannis N. K...
IJHPCA
2008
131views more  IJHPCA 2008»
13 years 7 months ago
De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers
We present a de novo hierarchical simulation framework for first-principles based predictive simulations of materials and their validation on high-end parallel supercomputers and ...
Aiichiro Nakano, Rajiv K. Kalia, Ken-ichi Nomura, ...
ERSA
2007
142views Hardware» more  ERSA 2007»
13 years 8 months ago
An FPGA Implementation of Reciprocal Sums for SPME
Molecular Dynamics simulations have become an interesting target for acceleration using Field-Programmable Gate Arrays (FPGA). Still to be attempted completely in FPGA hardware is...
Sam Lee, Paul Chow
CEC
2005
IEEE
14 years 21 days ago
A genetic algorithm for energy minimization in bio-molecular systems
Energy minimization algorithms for bio-molecular systems are critical to applications such as the prediction of protein folding. Conventional energy minimization methods such as th...
Xiaochun Weng, Lutz Hamel, Lenore M. Martin, Joan ...