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» A structural keystone for drug design
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GECCO
2005
Springer
154views Optimization» more  GECCO 2005»
15 years 5 months ago
The molecule evoluator: an interactive evolutionary algorithm for designing drug molecules
To help chemists design new drugs, we created a tool that uses interactive evolution to design drug molecules, the “Molecule Evoluator”. In contrast to most other evolutionary...
Eric-Wubbo Lameijer, Adriaan P. IJzerman, Joost N....
BMCBI
2010
101views more  BMCBI 2010»
14 years 11 months ago
Optimizing structural modeling for a specific protein scaffold: knottins or inhibitor cystine knots
Background: Knottins are small, diverse and stable proteins with important drug design potential. They can be classified in 30 families which cover a wide range of sequences (1621...
Jérôme Gracy, Laurent Chiche
BIOCOMP
2006
15 years 1 months ago
WebDock: A Structure-Based Drug Discovery Web Service
High-Throughput Docking has emerged as a well establish method for identifying lead components in the process of searching for new drugs. The High-Throughput Docking Service provi...
Joseph Gill, Legand L. Burge III, Zengjian Hu, Wil...
CANDC
2002
ACM
14 years 11 months ago
Drug Design by Machine Learning: Support Vector Machines for Pharmaceutical Data Analysis
We show that the support vector machine (SVM) classification algorithm, a recent development from the machine learning community, proves its potential for structure
Robert Burbidge, Matthew W. B. Trotter, Bernard F....
TEC
2008
99views more  TEC 2008»
14 years 11 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...