Systematic evaluation of ReaxFF reactive force fields for biochemical applications
收藏NIAID Data Ecosystem2026-03-12 收录
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https://zenodo.org/record/4051099
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资源简介：
The tar archive contains supporting information to accompany the publication. The data includes the ReaxFF force field files, XYZ and BGF geometry files for amino acid conformers and dipeptides, pathways of initial DNEB interpolations and full connected pathways of condensation reactions.
创建时间：
2020-09-26
