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LAP Lambert Academic Publishing HIV1 Nef binding to hTE8 protein: insights from computational biology: Homology modeling, virtual protein-protein docking and Molecular Dynamics Simulation

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Description

Human immunodeficiency virus (HIV) is a lentivirus (a member of the retrovirus family) that causes acquired immunodeficiency syndrome (AIDS), a condition in humans in which the immune system begins to fail, leading to lifethreatening opportunistic infections.HIV-1 Negative factor (Nef) is a protein essential for the metabolism of the virus. Here we investigate the interactions of NEF with one of its targets on infected human cells, the human thioesterase 8 (hTE8) enzyme. Homology modeling, virtual protein-protein docking and Molecular Dynamics Simulation experiments are carried out on the structural models of the enzyme and the complex respectively, with the aim of characterizing the putative interaction region. A plausible, albeit approximate, binding region is identified. The latter help interpret existing site directed mutagenesis data. Our calculations suggest also that the system largescale dynamics change upon complex formation. About the Author B.S. & M.S. degree in Electronics Engineering at Politecnico, Milan, 1980- M.B.A. in General Management at University Bocconi, Milan, 1987-Ph.D. in Computational Biology (Bioinformatics) at University of Verona, 2011-TRENTO High School Professor of Informatics & Modeling Consultant (Financial Markets, Computational Biology, Finite Elements analys

Product Specifications

Format
paperback
Domain
Amazon UK
Release Date
20 March 2012
Listed Since
24 March 2012

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