The sensitivity of the results of molecular docking to induced fit effects: Application to thrombin, thermolysin and neuraminidase

Journal of Computer-Aided Molecular Design

Volumn 13, Issue 6, 1999, Pages 547-562

  Murray, Christopher W ^a   Baxter, Carol A ^a   Frenkel, A David ^a  

^a Proteus Molecular Design Ltd   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CRYSTAL STRUCTURE; DOCKS; HYDRAULIC STRUCTURES; HYDROGEN BONDS; LIGANDS; TABU SEARCH; VIRUSES;

BINDING AFFINITIES; BINDING MODES; CRYSTALS STRUCTURES; ENZYME STRUCTURES; INDUCED FIT; MOLECULAR DOCKING; NEURAMINIDASE; SIDE-CHAINS; THERMOLYSIN; Α-POSITIONS;

ENZYMES;

LIGAND; METALLOPROTEINASE; SERINE PROTEINASE; SIALIDASE; THERMOLYSIN; THROMBIN; VIRUS SIALIDASE;

ALGORITHM; ARTICLE; BINDING AFFINITY; COMPUTER AIDED DESIGN; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; ENZYME CONFORMATION; ENZYME STRUCTURE; HYDROGEN BOND; LIGAND BINDING; MOLECULAR INTERACTION; MOLECULAR MODEL; PRIORITY JOURNAL;

EID: 0032718788     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008015827877     Document Type: Article

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