Blockade of neuronal α7-nAchR by α-Conotoxin ImI explained by computational scanning and energy calculations

PLoS Computational Biology

Volumn 7, Issue 3, 2011, Pages

  Yu, Rilei ^a   Craik, David J ^a   Kaas, Quentin ^a  

^a UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COMPLEXATION; NEURONS; VAN DER WAALS FORCES;

ACETYLCHOLINE RECEPTOR; CONOTOXINS; DRUG LEADS; ENERGY CALCULATION; EXPLICIT WATER; ISOFORMS; NEUROCHEMICALS; NICOTINIC ACETYLCHOLINE; STRUCTURE-ACTIVITY RELATIONSHIPS; Α-CONOTOXINS;

MOLECULAR DYNAMICS;

ALPHA CONOTOXIN MII; BUNGAROTOXIN RECEPTOR; ALPHA CONOTOXIN IMI; ALPHA-CONOTOXIN IMI; APOPROTEIN; CONOTOXIN; NICOTINIC RECEPTOR;

ARTICLE; BINDING AFFINITY; BINDING SITE; CALCULATION; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DRUG STRUCTURE; HUMAN; INTERMETHOD COMPARISON; MOLECULAR DYNAMICS; NONHUMAN; POINT MUTATION; PREDICTION; PROTEIN FUNCTION; RECEPTOR BINDING; RECEPTOR BLOCKING; STRUCTURE ACTIVITY RELATION; AMINO ACID SEQUENCE; ANIMAL; APLYSIA; CHEMICAL STRUCTURE; CHEMISTRY; METABOLISM; METHODOLOGY; MOLECULAR GENETICS; MOUSE; PROTEIN BINDING; PROTEIN STABILITY; SEQUENCE ALIGNMENT; SYSTEMS BIOLOGY; THERMODYNAMICS;

AMINO ACID SEQUENCE; ANIMALS; APLYSIA; APOPROTEINS; CONOTOXINS; HUMANS; MICE; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; POINT MUTATION; PROTEIN BINDING; PROTEIN STABILITY; RECEPTORS, NICOTINIC; SEQUENCE ALIGNMENT; SYSTEMS BIOLOGY; THERMODYNAMICS;

EID: 79953658296     PISSN: 1553734X     EISSN: 15537358     Source Type: Journal    
DOI: 10.1371/journal.pcbi.1002011     Document Type: Article

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