VAMMPIRE: A Matched Molecular Pairs Database for Structure-Based Drug Design and Optimization

Structure-based optimization to improve the affinity of a lead compound is an established approach in drug discovery. Knowledge-based databases holding molecular replacements can be supportive in the optimization process. We introduce a strategy to relate the substitution effect within matched molec...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of medicinal chemistry 2013-06, Vol.56 (12), p.5203-5207
Hauptverfasser:	Weber, Julia, Achenbach, Janosch, Moser, Daniel, Proschak, Ewgenij
Format:	Artikel
Sprache:	eng
Schlagworte:	Databases, Pharmaceutical Drug Design Ligands Models, Molecular Molecular Conformation Proteins - metabolism User-Computer Interface
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!