Structure-based ligand design by a build-up approach and genetic algorithm search in conformational space

Program to engineer peptides (PEP) is a build‐up approach for ligand docking and design with implicit solvation. It requires the knowledge of a seed from which it iteratively grows polymeric ligands consisting of any type of amino acid, i.e., natural and/or nonnatural from a user‐defined library. At...

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Veröffentlicht in:	Journal of computational chemistry 2001-12, Vol.22 (16), p.1956-1970
Hauptverfasser:	Budin, Nicolas, Majeux, Nicolas, Tenette-Souaille, Catherine, Caflisch, Amedeo
Format:	Artikel
Sprache:	eng
Schlagworte:	genetic algorithm implicit solvation ligand docking peptidomimetics structure-based design
Online-Zugang:	Volltext
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