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BMCBI
2008
130views more  BMCBI 2008»
13 years 7 months ago
FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects
Background: Drug discovery and chemical biology are exceedingly complex and demanding enterprises. In recent years there are been increasing awareness about the importance of pred...
David Lagorce, Olivier Sperandio, Hervé Gal...
GECCO
2005
Springer
119views Optimization» more  GECCO 2005»
14 years 1 months ago
A multi-objective evolutionary approach to peptide structure redesign and stabilization
The prediction of the native structures of proteins, the socalled protein folding problem, is a NP hard multi-minima optimization problem for which to date no routine solutions ex...
Tim Hohm, Daniel Hoffmann
ICAISC
2010
Springer
13 years 9 months ago
Computer Assisted Peptide Design and Optimization with Topology Preserving Neural Networks
Abstract. We propose a non-standard neural network called TPNN which offers the direct mapping from a peptide sequence to a property of interest in order to model the quantitative ...
Jörg D. Wichard, Sebastian Bandholtz, Carsten...
GPEM
2007
113views more  GPEM 2007»
13 years 7 months ago
An evolutionary approach to cancer chemotherapy scheduling
In this paper, we investigate the employment of evolutionary algorithms as a search mechanism in a decision support system for designing chemotherapy schedules. Chemotherapy invol...
Gabriela Ochoa, Minaya Villasana, Edmund K. Burke
TCBB
2011
13 years 2 months ago
Semi-Markov Models for Brownian Dynamics Permeation in Biological Ion Channels
—Constructing accurate computational models that explain how ions permeate through a biological ion channel is an important problem in biophysics and drug design. Brownian dynami...
Vikram Krishnamurthy, Kai Yiu Luk