448 search results - page 19 / 90 » Molecular Dynamics Simulation and Visualization |
SCI
1999
Springer
13 years 12 months ago
1999
Springer
This paper describes the parallelization of a commercial molecular dynamics simulation code, GROMOS96, on a SCI (Scalable Coherent Interface) interconnected PC cluster. The underly...
ICCS
2007
Springer
14 years 1 months ago
2007
Springer
Abstract. We extend the hyperdynamics method developed for lowdimensional energy-dominated systems, to simulate slow dynamics in more general atomistic systems. We show that a few ...
WABI
2005
Springer
14 years 1 months ago
2005
Springer
We present recent developments in efficiently maintaining the boundary and surface area of protein molecules as they undergo conformational changes. As the method that we devised k...
JCPHY
2011
12 years 10 months ago
2011
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 ...
ICASSP
2010
IEEE
13 years 8 months ago
2010
IEEE
Nature has evolved many molecular machines such as kinesin, myosin, and the rotary flagellar motor powered by an ion current from the mitochondria. Direct observation of the step-...