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» Large Scale Simulation of Parallel Molecular Dynamics
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SCI
1999
Springer
14 years 4 days ago
Shared Memory Parallelization of the GROMOS96 Molecular Dynamics Code
This paper describes the parallelization of a commercial molecular dynamics simulation code, GROMOS96, on a SCI (Scalable Coherent Interface) interconnected PC cluster. The underly...
Marcus Dormanns
PPAM
2007
Springer
14 years 2 months ago
An Extensible Timing Infrastructure for Adaptive Large-Scale Applications
Real-time access to accurate and reliable timing information is necessary to profile scientific applications, and crucial as simulations become increasingly complex, adaptive, an...
Dylan Stark, Gabrielle Allen, Tom Goodale, Thomas ...
FCCM
2007
IEEE
169views VLSI» more  FCCM 2007»
14 years 2 months ago
FPGA-Based Multigrid Computation for Molecular Dynamics Simulations
Abstract: FPGA-based acceleration of molecular dynamics (MD) has been the subject of several recent studies. Implementing long-range forces, however, has only recently been address...
Yongfeng Gu, Martin C. Herbordt
BMCBI
2007
202views more  BMCBI 2007»
13 years 8 months ago
ProtNet: a tool for stochastic simulations of protein interaction networks dynamics
Background: Protein interactions support cell organization and mediate its response to any specific stimulus. Recent technological advances have produced large data-sets that aim ...
Massimo Bernaschi, Filippo Castiglione, Alessandra...
BMCBI
2011
13 years 2 months ago
Implementation of Force Distribution Analysis for Molecular Dynamics simulations
Background: The way mechanical stress is distributed inside and propagated by proteins and other biopolymers largely defines their function. Yet, determining the network of intera...
Wolfram Stacklies, Christian Seifert, Frauke Graet...