RigFit: A new approach to superimposing ligand molecules

Journal of Computer-Aided Molecular Design

Volumn 12, Issue 5, 1998, Pages 491-502

  Lemmen, Christian ^a   Hiller, Claus ^a   Lengauer, Thomas ^a  

^a FRAUNHOFER INSTITUTE FOR APPLIED INFORMATION TECHNOLOGY FIT   (Germany)

Author keywords

Drug design; Fourier space alignment; Molecular similarity; Molecular superposition; Rigid body superposition; Structural alignment

Indexed keywords

ALIGNMENT; CRYSTAL ORIENTATION; MOLECULAR ORIENTATION;

DATABASE SCREENINGS; DRUG DESIGN; FOURIER SPACE; FOURIER SPACE ALIGNMENT; MOLECULAR SIMILARITY; MOLECULAR SUPERPOSITION; RIGID BODY; RIGID-BODY SUPERPOSITION; SPACE ALIGNMENT; STRUCTURAL ALIGNMENTS;

LIGANDS;

LIGAND;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; DATA BASE; DRUG DESIGN; FOURIER ANALYSIS; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; CRYSTALLOGRAPHY, X-RAY; DATABASE MANAGEMENT SYSTEMS; DRUG DESIGN; FOURIER ANALYSIS; LIGANDS; MODELS, MOLECULAR;

EID: 0032153072     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008027706830     Document Type: Article

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