448 search results - page 17 / 90 » Molecular Dynamics Simulation and Visualization |
ICA3PP
2005
Springer
14 years 1 months ago
2005
Springer
In the present work we describe architectural concepts of the distributed molecular simulation package GridMD. The main purpose of this work is to underline the construction patter...
JCC
2002
13 years 7 months ago
2002
: Presented in the context of classical molecular mechanics and dynamics are multilevel summation methods for the fast calculation of energies/forces for pairwise interactions, whi...
JCC
2008
13 years 7 months ago
2008
: An explicit ion, implicit water solvent model for molecular dynamics was developed and tested with DNA and RNA simulations. The implicit water model uses the finite difference Po...
IPPS
2006
IEEE
14 years 1 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...
COMPGEOM
2005
ACM
13 years 9 months ago
2005
ACM
We present an efficient algorithm for maintaining the boundary and surface area of protein molecules as they undergo conformational changes. We also describe a robust implementati...