132 search results - page 9 / 27 » Molecular Dynamics Simulations on High-Performance Reconfigu... |
ICCSA
2004
Springer
14 years 3 months ago
2004
Springer
We present a novel simulation tool to study fluid mixtures that are simultaneously chemically reacting and adsorbing within a molecularly porous material. The method is a combinat...
SC
2005
ACM
14 years 3 months ago
2005
ACM
— SPICE aims to understand the vital process of translocation of biomolecules across protein pores by computing the free energy profile of the translocating biomolecule along th...
ISVC
2009
Springer
14 years 2 months ago
2009
Springer
Abstract. Research domains that deal with complex molecular systems often employ computer-based thermodynamics simulations to study molecular interactions and investigate phenomena...
ICA3PP
2005
Springer
14 years 3 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...
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...