Extended ensemble molecular dynamics study of ammonia–cellulose I complex crystal models: free-energy landscape and atomistic pictures of ammonia diffusion in the crystalline phase.
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The data deposited here accompany the manuscript "Extended ensemble molecular dynamics study of ammonia–cellulose I complex crystal models: free-energy landscape and atomistic pictures of ammonia diffusion in the crystalline phase" and include the molecular dynamics trajectories and the AMBER topology (parm) files. Detailed file contents are summarized in the README file.
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Zenodo创建时间：
2023-06-04
