Data for: "Constant pH Coarse-Grained MolecularDynamics with Stochastic Charge Neutralization - Associated Data"

Name: Data for: "Constant pH Coarse-Grained MolecularDynamics with Stochastic Charge Neutralization - Associated Data"
Creator: University of Strathclyde
Published: 2022-02-16T09:57:37+08:00

DataCite Commons2022-02-16 更新2025-04-17 收录

恒定pH分子动力学

粗粒化模拟

数据链接：

https://pureportal.strath.ac.uk/en/datasets/f76ac245-0e38-40ca-ac3c-26c000510faf 数据链接链接失效反馈

官方服务：

资源简介：

This dataset contains CpHMD output of the simulations descripted in the related article with reduced file size MD trajectories. Also contained in this record is a modified version of NAMD and associated TCL scripts for performing different kinds of CpHMD as well as experimental titration data for different concentrations of oleic acid.

提供机构：

University of Strathclyde

创建时间：

2022-02-16