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» Evolving Molecules for Drug Design Using Genetic Algorithms ...
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GECCO
2000
Springer
127views Optimization» more  GECCO 2000»
13 years 8 months ago
Evolving Molecules for Drug Design Using Genetic Algorithms via Molecular Trees
We present a new representation for a genetic algorithm to evolve molecular structures representing possible drugs that bind to a given protein target receptor. Our representation...
Gerard Kian-Meng Goh, James A. Foster
GECCO
2005
Springer
189views Optimization» more  GECCO 2005»
13 years 10 months ago
Molecular programming: evolving genetic programs in a test tube
We present a molecular computing algorithm for evolving DNA-encoded genetic programs in a test tube. The use of synthetic DNA molecules combined with biochemical techniques for va...
Byoung-Tak Zhang, Ha-Young Jang
ICGA
1997
122views Optimization» more  ICGA 1997»
13 years 6 months ago
A Comparison of Global and Local Search Methods in Drug Docking
Molecular docking software makes computational predictions of the interaction of molecules. This can be useful, for example, in evaluating the binding of candidate drug molecules ...
Christopher D. Rosin, R. Scott Halliday, William E...
IROS
2009
IEEE
142views Robotics» more  IROS 2009»
13 years 11 months 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,...
TEC
2008
99views more  TEC 2008»
13 years 4 months ago
A Drug Candidate Design Environment Using Evolutionary Computation
Abstract-- This article describes the Candidate Design Environment we developed for efficient identification of promising drug candidates. Developing effective drugs from active mo...
M. Ihsan Ecemis, J. Wikel, C. Bingham, Eric Bonabe...