Enhanced docking with the mining minima optimizer: Acceleration and side-chain flexibility

Journal of Computational Chemistry

Volumn 23, Issue 16, 2002, Pages 1656-1670

  Kairys, Visvaldas ^a,b   Gilson, Michael K ^a  

^a UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE   (United States)

^b Essential Therapeutics   (United States)

Author keywords

Ligand protein docking algorithm; Mining minima; Side chain flexibility

Indexed keywords

ANTIBODY; HYDROXYL RADICAL; LIGAND; PROGESTERONE; PROTEIN;

ALGORITHM; ARTICLE; CHEMISTRY; CONFORMATION; IMMUNOLOGY; PROTEIN BINDING; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; ANTIBODIES; HYDROXYL RADICAL; LIGANDS; MOLECULAR CONFORMATION; PROGESTERONE; PROTEIN BINDING; PROTEINS; STRUCTURE-ACTIVITY RELATIONSHIP;

ACCELERATION; ALGORITHMS; ENZYMES; PROTEINS; RELAXATION PROCESSES;

SIDE-CHAIN FLEXIBILITY;

MOLECULAR DYNAMICS;

EID: 0036882099     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10168     Document Type: Article

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