A new concept for multidimensional selection of ligand conformations (multiselect) and multidimensional scoring (multiscore) of protein-ligand binding affinities

Journal of Medicinal Chemistry

Volumn 44, Issue 14, 2001, Pages 2333-2343

  Terp, G E ^a   Johansen, B N ^b   Christensen, I T ^c   Jorgensen F S ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b CARDIFF UNIVERSITY   (United Kingdom)

^c NOVO NORDISK A S   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING PROTEIN; CARBOXYPEPTIDASE A; FATTY ACID BINDING PROTEIN; FK 506 BINDING PROTEIN; IMMUNOGLOBULIN; LIGAND; MALTOSE BINDING PROTEIN; MATRIX METALLOPROTEINASE INHIBITOR; METALLOPROTEINASE; NEUTROPHIL COLLAGENASE; NUCLEOSIDE PHOSPHORYLASE; ONCOPROTEIN; PROTEIN; SIALIDASE; THROMBIN; TRIOSEPHOSPHATE ISOMERASE; TRYPSIN;

ARTICLE; BINDING AFFINITY; CALCULATION; CONFORMATION; ENZYME ACTIVE SITE; LIGAND BINDING; PREDICTION; PRINCIPAL COMPONENT ANALYSIS; SCORING SYSTEM;

CRYSTALLOGRAPHY, X-RAY; LIGANDS; MATRIX METALLOPROTEINASES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MULTIVARIATE ANALYSIS; PROTEASE INHIBITORS; PROTEIN BINDING; PROTEINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0035811458     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm001090l     Document Type: Article

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