132 search results - page 7 / 27 » Molecular Dynamics Simulations on High-Performance Reconfigu... |
PPOPP
2006
ACM
14 years 1 months ago
2006
ACM
Large-scale simulations and computational modeling using molecular dynamics (MD) continues to make significant impacts in the field of biology. It is well known that simulations...
JCC
2010
13 years 6 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...
JCC
2011
13 years 2 months ago
2011
Abstract: With today’s available computer power, free energy calculations from equilibrium molecular dynamics simulations “via counting” become feasible for an increasing num...
VIS
2004
IEEE
14 years 9 months ago
2004
IEEE
In this article we explore techniques to detect and visualize features in data from molecular dynamics (MD) simulations. Although the techniques proposed are general, we focus on ...
ISCA
2007
IEEE
14 years 2 months ago
2007
IEEE
The ability to perform long, accurate molecular dynamics (MD) simulations involving proteins and other biological macromolecules could in principle provide answers to some of the ...