Interactions of organophosphorus and related compounds with cholinesterases, a theoretical study

Chemico-Biological Interactions

Volumn 157-158, Issue , 2005, Pages 321-325

  Hurley, Margaret M ^a   Balboa, Alex ^b   Lushington, Gerald H ^c   Guo, Jianxin ^c  

^a U S ARMY RESEARCH LABORATORY   (United States)

^b EDGEWOOD CHEMICAL BIOLOGICAL CENTER   (United States)

^c UNIVERSITY OF KANSAS   (United States)

Author keywords

Acetylcholinesterase; Docking; Quantum mechanics; Simulation

Indexed keywords

CHOLINESTERASE; CHOLINESTERASE INHIBITOR; GLUTAMIC ACID DERIVATIVE; ORGANOPHOSPHORUS COMPOUND;

BINDING AFFINITY; CHEMICAL INTERACTION; COMPARATIVE STUDY; CONFERENCE PAPER; METHODOLOGY; MOLECULAR DYNAMICS; PREDICTION; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM MECHANICS; SIMULATION; THEORETICAL STUDY;

BINDING SITES; CHOLINESTERASE INHIBITORS; CHOLINESTERASES; HUMANS; KINETICS; LIGANDS; MODELS, BIOLOGICAL; ORGANOPHOSPHORUS COMPOUNDS; THERMODYNAMICS;

EID: 28744455565     PISSN: 00092797     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cbi.2005.10.096     Document Type: Conference Paper

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