97 search results - page 3 / 20 » Implementation of Force Distribution Analysis for Molecular ... |
FCCM
2007
IEEE
14 years 4 months ago
2007
IEEE
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...
JCC
2010
13 years 8 months ago
2010
Molecular dynamics (MD) simulation involves solving Newton’s equations of motion for a system of atoms, by calculating forces and updating atomic positions and velocities over a...
IPPS
2006
IEEE
14 years 4 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...
IPPS
1999
IEEE
14 years 2 months ago
1999
IEEE
This paper aims to describe the implementation of TAKAKAW, an efficient parallel application for the simulation of molecular dynamics designed to handle large proteins in biology....
FCCM
2004
IEEE
14 years 2 months ago
2004
IEEE
Current high-performance applications are typically implemented on large-scale general-purpose distributed or multiprocessing systems often based on commodity microprocessors. Fie...