Molecular dynamics simulation of chitin nanocrystal-water interfaces
收藏NIAID Data Ecosystem2026-03-13 收录
下载链接：
https://zenodo.org/record/5578599
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资源简介：
This is the data repository for the paper "Probing the structural details of chitin nanocrystal-water interfaces by three-dimensional atomic force microscopy" by Ayhan Yurtsever, Pei-Xi Wang, Fabio Priante, Ygor Morais Jaques, Kazuki Miyata, Mark J. MacLachlan, Adam S. Foster, and Takeshi Fukuma.
It contains:
- The system's starting geometry (water-chitin.pdb)
- The production trajectory, in .dcd format (nvt_prod_chitin.tar.xz, uncompressed size 1.9 GB)
- The resulting water density, in .cube format, computed on each of the chitin surfaces (chitin_cube_densities_vmd.tar.xz, uncompressed size 3.1 GB)
创建时间：
2021-10-20
