72 search results - page 1 / 15 » MDLab: A molecular dynamics simulation prototyping environme... |
129
Voted
JCC
2010
14 years 10 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...
MJ
2008
15 years 5 days ago
2008
This paper presents a molecular mechanics study using a molecular dynamics software (NAMD) coupled to virtual reality (VR) techniques for intuitive bio-nanorobotic prototyping. Us...
112
Voted
IPPS
1999
IEEE
15 years 4 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....
116
Voted
PPOPP
2006
ACM
15 years 6 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...
114
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WSC
1998
15 years 1 months ago
1998
We have taken a NIST molecular dynamics simulation program (md3), which was configured as a single sequential process running on a CRAY C90 vector supercomputer, and parallelized ...