Broadening the field of opportunity for medicinal chemists. Official journal of the European Federation for Medicinal Chemistry
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Review Article

Computational ligand-based rational design: role of conformational sampling and force fields in model development

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HSFII, 20 Penn St., Baltimore, USA
E-mail: amackere@rx.umaryland.edu;
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Med. Chem. Commun., 2011,2, 356-370

DOI: 10.1039/C1MD00044F
Received 10 Feb 2011, Accepted 17 Mar 2011
First published online 18 Apr 2011

This article is part of themed collection: MedChemComm 2011 review articles
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