LigAlign: Flexible ligand-based active site alignment and analysis

Journal of Molecular Graphics and Modelling

Volumn 29, Issue 1, 2010, Pages 93-101

  Heifets, Abraham ^a,b   Lilien, Ryan H ^a,b  

^a UNIVERSITY OF TORONTO   (Canada)

^b UNIVERSITY OF TORONTO   (Canada)

Author keywords

Bipartite matching; Clique enumeration; Dynamic programming; Flexible ligand analysis; Ligand superposition; Protein structure alignment

Indexed keywords

ACTIVE SITE; AUTOMATED SYSTEMS; BIOLOGICAL LIGANDS; BIPARTITE MATCHINGS; CLIQUE ENUMERATION; FLEXIBLE LIGANDS; PROTEIN STRUCTURE ALIGNMENT; PROTEIN-LIGAND COMPLEXES; RIGID OBJECTS; STRUCTURAL MOTIFS;

ALIGNMENT; AUTOMATION; COMPLEXATION; DYNAMIC PROGRAMMING; PROTEINS; STRUCTURAL ANALYSIS;

LIGANDS;

LIGAND;

ANALYTIC METHOD; ARTICLE; AUTOMATION; CONFORMATION; MOLECULAR INTERACTION; MOLECULAR SIZE; PRIORITY JOURNAL; SEQUENCE ANALYSIS; STRUCTURE ANALYSIS;

AMINO ACID SEQUENCE; CATALYTIC DOMAIN; HEME; LIGANDS; MOLECULAR SEQUENCE DATA; NAD; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY, AMINO ACID; SOFTWARE;

EID: 77955768648     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2010.05.005     Document Type: Article

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