92 search results - page 1 / 19 » Constrained Molecular Dynamics as a Search and Optimization ... |
EUROGP
2004
Springer
13 years 10 months ago
2004
Springer
Abstract. In this paper we consider a new class of search and optimization algorithms inspired by molecular dynamics simulations in physics.
CSB
2005
IEEE
13 years 10 months ago
2005
IEEE
The molecular docking problem is to determine how molecules interact with other molecules and plays a key role in understanding how cells function. DockingShop is an integrated en...
BMCBI
2008
13 years 5 months ago
2008
Background: Virtual or in silico ligand screening combined with other computational methods is one of the most promising methods to search for new lead compounds, thereby greatly ...
IPPS
2008
IEEE
13 years 11 months ago
2008
IEEE
In this paper, we consider the interaction between application programmers and tools that automatically search a space of application-level parameters that are believed to impact ...
CSC
2010
12 years 11 months ago
2010
- We have developed a performance prediction model for non-bonded interaction computations in molecular dynamics simulations, thereby predicting the optimal cell dimension in a lin...