MolDock:  A New Technique for High-Accuracy Molecular Docking

In this article we introduce a molecular docking algorithm called MolDock. MolDock is based on a new heuristic search algorithm that combines differential evolution with a cavity prediction algorithm. The docking scoring function of MolDock is an extension of the piecewise linear potential (PLP) inc...

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Veröffentlicht in:	Journal of medicinal chemistry 2006-06, Vol.49 (11), p.3315-3321
Hauptverfasser:	Thomsen, René, Christensen, Mikael H
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Binding Sites Biological and medical sciences Drug Design Ligands Medical sciences Miscellaneous Models, Molecular Pharmacology. Drug treatments Proteins - chemistry Thermodynamics
Online-Zugang:	Volltext
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