GEMDOCK: A generic evolutionary method for molecular docking

We have developed an evolutionary approach for flexible ligand docking. This approval, GEMDOCK, uses a Generic Evolutionary Method for molecular DOCKing and an empirical scoring function. The former combines both discrete and continuous global search strategies with local search strategies to speed...

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Veröffentlicht in:	Proteins, structure, function, and bioinformatics structure, function, and bioinformatics, 2004-05, Vol.55 (2), p.288-304
Hauptverfasser:	Yang, Jinn-Moon, Chen, Chun-Chen
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Binding Sites Computational Biology - methods cross-docking Databases, Protein Evolution, Molecular evolutionary algorithm HIV Protease - metabolism hybrid docking Hydrogen Bonding Immunoglobulin Fab Fragments - metabolism Internet Ligands Models, Molecular molecular recognition Mutation - genetics Probability Protein Binding protein-ligand docking Proteins - genetics Proteins - metabolism Recombination, Genetic Reproducibility of Results Sensitivity and Specificity Software Static Electricity structure-based drug design Thermodynamics
Online-Zugang:	Volltext
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