H2N2V1, Main, Exploration, bibRecord, 000A41

Molecular-level simulation of Pandemic Influenza Glycoproteins

Identifieur interne : 000A41 ( Main/Exploration ); précédent : 000A40; suivant : 000A42

Molecular-level simulation of Pandemic Influenza Glycoproteins

Auteurs : Rommie E. Amaro [États-Unis] ; Wilfred W. Li [États-Unis]

Source :

Methods in Molecular Biology (Clifton, N.j.) [ 1064-3745 ] ; 2012.

RBID : PMC:3352029

Abstract

Summary

Computational simulation of pandemic diseases provides important insight into many disease features that may benefit public health. This is especially true for the influenza virus, a continuing global pandemic threat. Molecular or atomic-level investigation of influenza has predominantly focused on the two major virus glycoproteins, neuraminidase (NA) and hemagglutinin (HA). In this chapter, we walk the readers through major considerations for studying pandemic influenza glycoproteins, from choosing the most useful choice of system(s) to avoiding common pitfalls in experimental design and execution. While a brief discussion of several potential simulation and docking techniques is presented, we emphasize molecular dynamics (MD) and Brownian dynamics (BD) simulation techniques and molecular docking, within the context of biologically outstanding questions in influenza research.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3352029

DOI: 10.1007/978-1-61779-465-0_34
PubMed: 22183559
PubMed Central: 3352029

Affiliations:

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Molecular-level simulation of Pandemic Influenza Glycoproteins

Molecular-level simulation of Pandemic Influenza Glycoproteins

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Abstract

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