MARS: Computing three-dimensional alignments for multiple ligands using pairwise similarities

Journal of Chemical Information and Modeling

Volumn 52, Issue 8, 2012, Pages 2022-2030

  Klabunde, Thomas ^a   Giegerich, Clemens ^a   Evers, Andreas ^a  

^a SANOFI AVENTIS DEUTSCHLAND GMBH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

3D MODELING; ALIGNMENT; COMPUTATIONAL CHEMISTRY; LIGANDS; MATRIX ALGEBRA; MOLECULES; PHARMACODYNAMICS;

BIOLOGICAL TARGETS; LIGAND-PROTEIN COMPLEXES; MULTIPLE ALIGNMENT; MULTIPLE LIGANDS; PAIRWISE ALIGNMENT; PHARMACOPHORE MODELING; THREE-DIMENSIONAL ALIGNMENTS; THREEDIMENSIONAL (3-D);

THREE DIMENSIONAL COMPUTER GRAPHICS;

LIGAND; PROTEIN;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG ANTAGONISM; DRUG DESIGN; METABOLISM; PROTEIN BINDING; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN BINDING; PROTEINS;

EID: 84865484795     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci3000369     Document Type: Article

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