Energetics of ortho-7 (oxime drug) translocation through the active-site gorge of tabun conjugated acetylcholinesterase

PLoS ONE

Volumn 7, Issue 7, 2012, Pages

  Sinha, Vivek ^a   Ganguly, Bishwajit ^b   Bandyopadhyay, Tusar ^c  

^a INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH KOLKATA   (India)

^b CSIR CENTRAL SALT AND MARINE CHEMICALS RESEARCH INSTITUTE   (India)

^c BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLCHOLINESTERASE; OXIME; TABUN; WATER;

ARTICLE; BINDING AFFINITY; BINDING SITE; CALCULATION; CONTROLLED STUDY; DRUG PROTEIN BINDING; ENERGY TRANSFER; ENTROPY; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DYNAMICS; PROTEIN BINDING;

ACETYLCHOLINESTERASE; ANIMALS; BIOLOGICAL TRANSPORT; CATALYTIC DOMAIN; ENTROPY; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MICE; MOLECULAR DYNAMICS SIMULATION; ORGANOPHOSPHATES; OXIMES; PROTEIN BINDING; THERMODYNAMICS; TIME FACTORS; WATER;

EID: 84863839460     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0040188     Document Type: Article

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