Sensitivity of molecular docking to induced fit effects in influenza virus neuraminidase

Journal of Computer-Aided Molecular Design

Volumn 16, Issue 12, 2002, Pages 855-869

  Birch, Louise ^a   Murray, Christopher W ^b   Hartshorn, Michael J ^b   Tickle, Ian J ^b   Verdonk, Marcel L ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b ASTEX PHARMACEUTICALS   (United Kingdom)

Author keywords

GOLF; Induced fit effects; Influenza; Ligand protein docking; Neuraminidase; Rigid protein approximation

Indexed keywords

BINDING ENERGY; CRYSTAL STRUCTURE; GOLD COMPOUNDS; GOLF; HYDROGEN BONDS; LIGANDS; MOLECULES; VIRUSES;

DOCKING PROGRAMS; INDUCED FIT; INDUCED FIT EFFECT; INFLUENZA; LIGAND-PROTEIN DOCKING; NEURAMINIDASE; PROTEIN DOCKING; PROTEINS STRUCTURES; RIGID PROTEIN APPROXIMATION; VIRTUAL SCREENING;

PROTEINS;

ANTIVIRUS AGENT; N ACETYL 2,3 DIDEHYDRO 2 DEOXYNEURAMINIC ACID; OSELTAMIVIR; PERAMIVIR; SIALIC ACID; SIALIDASE INHIBITOR; UNCLASSIFIED DRUG; VIRUS SIALIDASE; WATER; ZANAMIVIR;

ARTICLE; BINDING AFFINITY; COMPUTER PROGRAM; CRYSTAL STRUCTURE; DRUG BIOAVAILABILITY; ENERGY; ENZYME CONFORMATION; HYDROGEN BOND; INFLUENZA VIRUS; LIGAND BINDING; NONHUMAN; PRIORITY JOURNAL; PROTEIN STRUCTURE;

EID: 0037806022     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1023844626572     Document Type: Article

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