Molecular dynamics simulation data 1: Structure of the connexin-43 gap junction channel in a putative closed state

Molecular dynamics data for the manuscript Qi C.*, Acosta-Gutierrez S.*, Lavriha P., Othman A., Lopez-Pigozzi D., Bayraktar E., Schuster D., Picotti P., Zamboni N., Bortolozzi M., Gervasio F.L., Korkhov V.M. Structure of the connexin-43 gap junction channel in a putative closed state. eLife (2023) https://doi.org/10.7554/eLife.87616.2 The dataset includes: 1. The starting coordinates, topology, MD inputs 2. Production run gromacs trajectories for the Cx43 gap junction channel本数据集为下述论文的配套分子动力学数据：Qi C.*、Acosta-Gutierrez S.*、Lavriha P.、Othman A.、Lopez-Pigozzi D.、Bayraktar E.、Schuster D.、Picotti P.、Zamboni N.、Bortolozzi M.、Gervasio F.L.、Korkhov V.M. 撰写的《处于推定闭合状态的连接蛋白43间隙连接通道结构》，该论文发表于《eLife》2023年，DOI: 10.7554/eLife.87616.2。本数据集包含以下内容：1. 初始坐标文件、拓扑文件及分子动力学（Molecular Dynamics, MD）输入文件；2. 针对连接蛋白43（connexin-43, Cx43）间隙连接通道的GROMACS生产模拟轨迹文件。