3 search results - page 1 / 1 » Utilizing Averaged Configuations from Molecular Dynamics Sim... |
144
Voted
HPCS
2007
IEEE
16 years 20 days ago
2007
IEEE
One of the challenges in the large-scale simulations required for many molecular systems (such as those of biological interested) is the recording, monitoring and visualization of...
217
Voted
MMAS
2011
Springer
15 years 1 months ago
2011
Springer
While existing mathematical descriptions can accurately account for phenomena at microscopic scales (e.g. molecular dynamics), these are often high-dimensional, stochastic and thei...
160
Voted
SCFBM
2008
15 years 5 months ago
2008
Background: CRANKITE is a suite of programs for simulating backbone conformations of polypeptides and proteins. The core of the suite is an efficient Metropolis Monte Carlo sample...