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GECCO
2004
Springer

An Evolutionary Approach with Pharmacophore-Based Scoring Functions for Virtual Database Screening

14 years 3 months ago
An Evolutionary Approach with Pharmacophore-Based Scoring Functions for Virtual Database Screening
We have developed a new tool for virtual database screening. This tool, referred to as the Generic Evolutionary Method for molecular DOCKing (GEMDOCK), combines an evolutionary approach and a new pharmacophore-based scoring function. The former integrates discrete and continuous global search strategies with local search strategies to speed up convergence. The latter simultaneously serves as the scoring function of both molecular docking and post-docking analysis to improve the number of the true positives. We accessed the accuracy of our approach on HSV-1 thymidine kinase using a ligand database on which competing tools were evaluated. The accuracies of our predictions were 0.54 for
Jinn-Moon Yang, Tsai-Wei Shen, Yen-Fu Chen, Yi-Yua
Added 01 Jul 2010
Updated 01 Jul 2010
Type Conference
Year 2004
Where GECCO
Authors Jinn-Moon Yang, Tsai-Wei Shen, Yen-Fu Chen, Yi-Yuan Chiu
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