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» The molecule evoluator: an interactive evolutionary algorith...
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IIS
2004
13 years 6 months ago
Application of evolutionary computing to conformational analysis
In this paper we report new results concerning use of genetic algorithms in conformational analysis, field of pharmacy related to discovery and design of new drugs. The goal is to ...
Aleksander Wawer, Franciszek Seredynski, Pascal Bo...
IROS
2009
IEEE
142views Robotics» more  IROS 2009»
14 years 4 hour ago
Haptic feedback for molecular simulation
— In this paper, a new tool dedicated to the analysis and the conception of molecules is presented. It is composed of an adaptive simulation software and a haptic device used to ...
Aude Bolopion, Barthelemy Cagneau, Stephane Redon,...
GECCO
2003
Springer
165views Optimization» more  GECCO 2003»
13 years 10 months ago
An Evolutionary Approach for Molecular Docking
We have developed an evolutionary approach for the flexible docking that is now an important component of a rational drug design. This automatic docking tool, referred to as the G...
Jinn-Moon Yang
BMCBI
2005
118views more  BMCBI 2005»
13 years 5 months ago
Variation in structural location and amino acid conservation of functional sites in protein domain families
Background: The functional sites of a protein present important information for determining its cellular function and are fundamental in drug design. Accordingly, accurate methods...
Birgit Pils, Richard R. Copley, Jörg Schultz
JCC
2011
154views more  JCC 2011»
12 years 8 months ago
Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database
: Docking is one of the most commonly used techniques in drug design. It is used for both identifying correct poses of a ligand in the binding site of a protein as well as for the ...
Dariusz Plewczynski, Michal Lazniewski, Rafal Augu...