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Research and review articles in medicinal chemistry and related drug discovery science; the 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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Corresponding authors
a
HSFII, 20 Penn St., Baltimore, USA
E-mail: amackere@rx.umaryland.edu
Fax: +410 706 5017
Tel: +410 706 7442
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
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