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Journal of Computer-Aided Molecular Design

Volumn 15, Issue 7, 2001, Pages 613-647

Evaluation of designed ligands by a multiple screening method: Application to glycogen phosphorylase inhibitors constructed with a variety of approaches

(2) So, S S a Karplus, M b

a HARVARD UNIVERSITY (United States)

b UNIVERSITÉ DE STRASBOURG (France)

Author keywords

Binding affinity prediction; Glycogen phosphorylase inhibitor; LUDI; MCSS; QSAR; Structure based drug design

Indexed keywords

APPLICATION PROGRAMS; BINDING ENERGY; COMPUTATIONAL CHEMISTRY; ENZYME ACTIVITY; ENZYME INHIBITION; GLUCOSE; MOLECULES; THREE DIMENSIONAL COMPUTER GRAPHICS;

BINDING AFFINITIES; BINDING AFFINITY PREDICTION; BLOOD GLUCOSE LEVEL; GLYCOGEN PHOSPHORYLASE; GLYCOGEN PHOSPHORYLASE INHIBITORS; LUDI; MCSS; QSAR; SCREENING METHODS; STRUCTURE BASED DRUG DESIGNS;

LIGANDS;

DRUG RECEPTOR; ENZYME INHIBITOR; GLUCOSE; GLYCOGEN PHOSPHORYLASE; LIGAND;

ACCURACY; ANALYTIC METHOD; ARTICLE; BINDING SITE; CALCULATION; COMPUTER PROGRAM; CONTROLLED STUDY; DRUG BINDING; DRUG DESIGN; DRUG RECEPTOR BINDING; DRUG STRUCTURE; EVALUATION; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEPTOR AFFINITY; SCREENING;

EID: 0034798039 PISSN: 0920654X EISSN: None Source Type: Journal
DOI: 10.1023/A:1011945119287 Document Type: Article

Times cited : (18)

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