Contributions of charge-density research to medicinal chemistry

Contributions of charge-density research to medicinal chemistry

This article reviews efforts in accurate experimental charge-density studies with relevance to medicinal chemistry. Initially, classical charge-density studies that measure electron density distribution via least-squares refinement of aspherical-atom population parameters are summarized. Next, inter...

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Bibliographic Details
Main Authors: Birger Dittrich, Chérif F. Matta
Format: Article
Language:English
Published: International Union of Crystallography 2014-11-01
Series:IUCrJ
Subjects:
charge-density research
medicinal chemistry
drug design
invariom
Hansen–Coppens multipole model
quantum theory of atoms in molecules
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2052252514018867

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http://scripts.iucr.org/cgi-bin/paper?S2052252514018867

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