58 search results - page 2 / 12 » An Evolutionary Approach for Molecular Docking |
BIOINFORMATICS
2007
13 years 5 months ago
2007
Motivation: Protein–protein complexes are known to play key roles in many cellular processes. However, they are often not accessible to experimental study because of their low s...
SIAMSC
2011
12 years 11 months ago
2011
In order to compute polarization energy of biomolecules, we describe a boundary element approach to solving the linearized Poisson–Boltzmann equation. Our approach combines sever...
IWINAC
2007
Springer
13 years 11 months ago
2007
Springer
We investigate how it is possible to shape robot behaviour adopting a molecular or molar point of view. These two ways to approach the issue are inspired by Learning Psychology, wh...
ALGORITHMICA
1999
13 years 4 months ago
1999
Abstract. The rational approach to pharmaceutical drug design begins with an investigation of the relationship between chemical structure and biological activity. Information gaine...
CCGRID
2004
IEEE
13 years 8 months ago
2004
IEEE
A new computational framework is developed for the evolutionary determination of molecular crystal structures using the Shake-and-Bake methodology. Genetic algorithms are performe...