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Input Files for Peptide Translocation Across Phospholipid Membranes Using Various Collective Variables and Martini Coarse-Grained Simulations

Name: Input Files for Peptide Translocation Across Phospholipid Membranes Using Various Collective Variables and Martini Coarse-Grained Simulations
Keywords: gromacs, Free energy calculations, Molecular dynamics

Research datakeyboard_double_arrow_right Dataset 01 Dec 2021Publisher:Zenodo

Authors: Ivo, Kabelka; Radim, Brožek; Robert, Vacha;

doi: 10.5281/zenodo.4371295 , 10.5281/zenodo.4371296

Input Files for Peptide Translocation Across Phospholipid Membranes Using Various Collective Variables and Martini Coarse-Grained Simulations

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Abstract

Input files for publication: Ivo Kabelka, Radim Brožek, and Robert Vácha: Selecting Collective Variables and Free Energy Methods for Peptide Translocation Across Membranes, Journal of Chemical Information and Modeling, submitted

Related Organizations

Masaryk University
Czech Republic

Keywords

gromacs, Free energy calculations, Molecular dynamics

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