Non-Universal Impact of Cholesterol on Membranes: Mobility, Curvature Sensing, and Elasticity
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://zenodo.org/record/10067079
下载链接
链接失效反馈官方服务：
资源简介：
Dataset repository - Non-Universal Impact of Cholesterol on Membranes: Mobility, Curvature Sensing, and Elasticity
==============================
The repository contains setup files and parameter files for atomistic molecular dynamics (MD) simulations performed with the GROMACS 2020/2021/2023 series. Modified trajectories for the post-processing analysis are further included. The repositiory corresponds to the following manuscript:
Non-Universal Impact of Cholesterol on Membranes: Mobility, Curvature Sensing, and Elasticity
Nature Comm. 14, 8038 (2023)
Matthias Pöhnl, Marius F.W. Trollmann, and Rainer A. BöckmannComputational Biology, Department of Biology, Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen, GermanyErlangen National High-Perfomance Computing Center (NHR@FAU), Erlangen, Germany*rainer.boeckmann@fau.de
Corresponding author:
* Rainer A. Böckmann (rainer.boeckmann@fau.de)
For each simulation system, the start pdb ('name'_start.pdb), topology (.top), the simulation parameters (.mdp), the final pdb file ('name'_end.pdb) , and the simulation input file (.tpr) are provided in Membrane-Systems.zip. The different studied systems are listed in 'AA_Systems.pdf' and CG_Systems.pdf.
Additionally, the force field files are provided in FF-Charmm.zip and FF-Martini.zip.
创建时间：
2024-07-11
