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Benchmarking Molecular Dynamics Simulations of Influenza A M2 Viroporin Complexes in Standard Lipid Bilayers

Name: Benchmarking Molecular Dynamics Simulations of Influenza A M2 Viroporin Complexes in Standard Lipid Bilayers
Keywords: folding, amphipathic helices, aminoadamantanes, amantadine-aryl head conjugates, viroporins, membrane bilayer, chloride anion, protein-protein interactions, cholesterol, transmembrane domain

descriptionPublicationkeyboard_double_arrow_right Article 01 Mar 2021 English Publisher:Zenodo

Authors: Kolokouris, Dimitrios; Kalenderoglou, Iris; Kolocouris, Antonios;

doi: 10.5281/zenodo.4571210 , 10.5281/zenodo.4922898 , 10.5281/zenodo.4914110

Benchmarking Molecular Dynamics Simulations of Influenza A M2 Viroporin Complexes in Standard Lipid Bilayers

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Abstract

Data sharing and availability section for "Benchmarking Molecular Dynamics Simulations of Influenza A M2 Viroporin Complexes in Standard Lipid Bilayers", Kolokouris, Dimitrios; Kalenderolgou, Iris; Kolocouris, Antonios

Related Organizations

University of Oxford
United Kingdom
University of Copenhagen
Denmark
National and Kapodistrian University of Athens
Greece

Keywords

folding, amphipathic helices, aminoadamantanes, amantadine-aryl head conjugates, viroporins, membrane bilayer, chloride anion, protein-protein interactions, cholesterol, transmembrane domain, OPLS2005, molecular dynamics, lipids, protein-lipid interactions, waters, CHARMM36, influenza A M2

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Benchmarking Molecular Dynamics Simulations for Viroporins: the case of Influenza A M2
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