Enabling Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms

Name: Enabling Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms
Published: 2021-04-15T00:00:00+08:00

NIAID Data Ecosystem2026-03-12 收录

大规模原子模拟

生物分子动力学

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https://zenodo.org/record/4692507 数据链接链接失效反馈

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资源简介：

Atomic structure of entire HIV capsid (10.2210/pdb3J3Q/pdb) solvated in water. Periodic cell dimensions: 118.389 x 80.045 x 66.781 nm

创建时间：

2021-04-15

Enabling Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms

资源简介：

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