Benchmarking docking and scoring protocol for the identification of potential acetylcholinesterase inhibitors

Journal of Molecular Graphics and Modelling

Volumn 28, Issue 8, 2010, Pages 870-882

  Zaheer ul Haq, ^a   Halim, Sobia Ahsan ^a   Uddin, Reaz ^a   Madura, Jeffry D ^b  

^a UNIVERSITY OF KARACHI   (Pakistan)

^b DUQUESNE UNIVERSITY   (United States)

Author keywords

Acetylcholinesterase; Comparative molecular docking; Scoring function

Indexed keywords

ACETYLCHOLINESTERASE; ALZHEIMER'S DISEASE; AUTODOCK; CHOLINERGIC SYNAPSIS; DATA SETS; DOCKING ACCURACY; DRUG TARGETS; INACTIVE COMPOUNDS; LARGE DATABASE; MOLECULAR DOCKING; NERVE IMPULSE; SCORING FUNCTIONS; THERAPEUTIC BENEFITS; VIRTUAL SCREENING;

BINDING ENERGY; DATABASE SYSTEMS; DRUG PRODUCTS; GOLD; GOLD COMPOUNDS; MOLECULAR MODELING;

DOCKING;

ACETYLCHOLINE; ACETYLCHOLINESTERASE; CHOLINESTERASE INHIBITOR;

ACCURACY; ALZHEIMER DISEASE; ARTICLE; BINDING SITE; CHOLINERGIC SYNAPSE; COMPUTER PROGRAM; CONTROLLED STUDY; DRUG SCREENING; DRUG TARGETING; ENZYME INHIBITION; GENETIC ALGORITHM; HYDROLYSIS; INTERMETHOD COMPARISON; MOLECULAR DOCKING; NERVE CONDUCTION; PRIORITY JOURNAL; QUALITY CONTROL; REFERENCE DATABASE; REPRODUCIBILITY; SCORING SYSTEM;

ALGORITHMS; BINDING SITES; CHOLINESTERASE INHIBITORS; COMPUTER SIMULATION; DATABASES, PROTEIN; HUMANS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN CONFORMATION;

RUMEX;

EID: 77953595300     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2010.03.007     Document Type: Article

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