Molecule-pharmacophore superpositioning and pattern matching in computational drug design

Three-dimensional (3D) pharmacophore modeling is a technique for describing the interaction of a small molecule ligand with a macromolecular target. Since chemical features in a pharmacophore model are well known and highly transparent for medicinal chemists, these models are intuitively understanda...

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Veröffentlicht in:	Drug discovery today 2008, Vol.13 (1), p.23-29
Hauptverfasser:	Wolber, Gerhard, Seidel, Thomas, Bendix, Fabian, Langer, Thierry
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Biological and medical sciences Computer-Aided Design Drug Design General pharmacology Hydrogen Bonding Ligands Medical sciences Models, Molecular Molecular Conformation Pharmaceutical technology. Pharmaceutical industry Pharmacology. Drug treatments Structure-Activity Relationship
Online-Zugang:	Volltext
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