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Medicinal chemistry / Pharmacology / Drug discovery / Cheminformatics / ACE inhibitors / Quantitative structure–activity relationship / Drug design / Enalapril / Pharmacophore / Chemistry / Pharmaceutical sciences / Science


Document Date: 2005-03-22 08:46:27

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City

Montreal / Weinheim / Concord / /

Company

Metaphore Pharmaceuticals / ACS / Brookhaven National Laboratories / WILEY-VCH Verlag GmbH & Co. KGaA / /

Country

Romania / /

Facility

Washington University / /

IndustryTerm

active site / low-energy conformation / accepted tools / physical and chemical property data / significant tool / pharmaceutical industry / chemical requirements / enzyme binding site / chemical catalysis / sulfhydryl / information retrieval systems / biological systems / chemical data / minimum energy conformations / treatment of sickle-cell disease / chemical structures / energy / enzyme active site / chemical properties / chemical groups / stable active site / cyclic systems / chemical integrity / zinc site / potential energy surface / similar chemical functionality / interactive chemical groups / plausible site / chemical structure / chemical information / chemical information system / appropriate chemical functionality / /

Organization

Chemical Abstracts Service / MIT / Washington University / /

Person

Casey / Peter Gund / Jose Font / Dennis Riley / Peter Goodford / Chris Ho / Ioan Motoc / Cyrus Levinthal / Tak Kuntz / Kevin Moeller / Leslie Humber / Todd Wipke / Beckett / Olga Kennard / /

Position

Personal View investigator / representative / Marshall / chemist / Personal View Garland R. Marshall / /

Product

captopril / /

PublishedMedium

Chemical Abstracts Service / /

Technology

combinatorial chemistry / molecular modeling / Computational chemistry / cloning / Drug Discovery / crystallization / spectroscopy / drug design / Chemoinformatics / /

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