739 search results - page 17 / 148 » Parallel Implementation of a Molecular Dynamics Simulation P... |
CGO
2007
IEEE
14 years 1 months ago
2007
IEEE
Dynamic instrumentation systems have proven to be extremely valuable for program introspection, architectural simulation, and bug detection. Yet a major drawback of modern instrum...
WABI
2005
Springer
14 years 1 months ago
2005
Springer
We present recent developments in efficiently maintaining the boundary and surface area of protein molecules as they undergo conformational changes. As the method that we devised k...
PC
2008
13 years 7 months ago
2008
We present a distributed scheme for initialization from atomic wavefunctions in ab initio molecular dynamics simulations. Good initial guesses for approximate wavefunctions are ve...
WSC
1998
13 years 8 months ago
1998
Most features in commercial simulation packages are often omitted in parallel simulation benchmarks, because they neither affect the overall correctness of the simulation protocol...
BMCBI
2006
13 years 7 months ago
2006
Background: The main aim of this study was to develop and implement an algorithm for the rapid, accurate and automated identification of paths leading from buried protein clefts, ...