首页/数据集/Pure POPE membrane simulations with the CHARMM-Drude force field at 310K (OpenMM)

Pure POPE membrane simulations with the CHARMM-Drude force field at 310K (OpenMM)

NIAID Data Ecosystem2026-03-14 收录

POPE膜分子动力学模拟

极化力场分子动力学

数据链接：

https://zenodo.org/record/7602769 数据链接链接失效反馈

官方服务：

资源简介：

MD simulation data of a pure POPE membrane with the CHARMM-Drude force field generated with the OpenMM simulation engine at 310K. Parameters from CHARMM-GUI.

应用场景：

创建时间：

2023-02-03

铁电材料相变

极化力场分子动力学

Emergence of Polarization Wake-Up from an Electric-Field-Induced Order–Disorder Transition in Ferroelectric CuInP 2 S 6

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Molecular Dynamics Simulations of Protein RNA Complexes by Using an Advanced Electrostatic Model

环状RNA-蛋白质相互作用

极化力场分子动力学

Protein–RNA interactions are integral to the biological functions of RNA. It is well recognized that molecular dynamics (MD) simulations of protein–RNA complexes are more challenging than those of eac

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Pure POPC Membrane with 650mM NaCl simulations using Drude Polarizable Force Field and OpenMM

分子动力学模拟

极化力场分子动力学

500 ns MD simulation of pure POPC membrane using Charmm-Drude polarizable force field. The system contains 128 POPC lipids, 77 NaCl, and 6400 SWM4 water molecules. The simulation have been performed u

Zenodo2020-08-19 更新30

Input files for simulation of potassium channels using the AMOEBA polarizable force field

钾通道分子动力学模拟

极化力场分子动力学

This dataset contains input Tinker xyz and key files for the simulation of KcsA potassium channels in DOPC bilayer, a simple script for converting CHARMM pdb file to Tinker xyz file, and modified Tink

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Molecular Dynamics Simulations of Protein RNA Complexes by Using an Advanced Electrostatic Model

环状RNA-蛋白质相互作用

极化力场分子动力学

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