84 search results - page 2 / 17 » Multiple grid methods for classical molecular dynamics |
ICASSP
2010
IEEE
13 years 5 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-...
GRID
2007
Springer
13 years 11 months ago
2007
Springer
— Biomolecular simulations play a key role in the study of complex biological processes at microscopic levels in which macromolecules such as proteins are involved. The simulatio...
ICPP
2006
IEEE
13 years 11 months ago
2006
IEEE
— Molecular Dynamics (MD) is an important atomistic simulation technique, with widespread use in computational chemistry, biology, and materials. An important limitation of MD is...
ISCA
2007
IEEE
13 years 11 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 ...
CPHYSICS
2008
13 years 5 months ago
2008
A scalable parallel algorithm has been designed to perform multimillion-atom molecular dynamics (MD) simulations, in which first principlesbased reactive force fields (ReaxFF) des...