Sciweavers

34 search results - page 1 / 7
» Aspects of a Parallel Molecular Dynamics Software for Nano-F...
Sort
View
SCI
1999
Springer
13 years 9 months 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
HPCC
2005
Springer
13 years 10 months ago
High Performance Subgraph Mining in Molecular Compounds
Structured data represented in the form of graphs arises in several fields of the science and the growing amount of available data makes distributed graph mining techniques partic...
Giuseppe Di Fatta, Michael R. Berthold
JCPHY
2011
192views more  JCPHY 2011»
12 years 7 months ago
Fast analysis of molecular dynamics trajectories with graphics processing units - Radial distribution function histogramming
The calculation of radial distribution functions (RDFs) from molecular dynamics trajectory data is a common and computationally expensive analysis task. The rate limiting step in ...
Benjamin G. Levine, John E. Stone, Axel Kohlmeyer
GI
2009
Springer
13 years 9 months ago
Massively-Parallel Simulation of Biochemical Systems
: Understanding biological evolution prompts for a detailed understanding of the realized phenotype. Biochemical and gene regulatory dynamics are a cornerstone for the physiology o...
Jens Ackermann, Paul Baecher, Thorsten Franzel, Mi...