Molecular dynamics simulation of chitin nanocrystal-water interfaces
<p>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.</p> <p>It contains:</p> <p>- The system's starting geometry (water-chitin.pdb)</p> <p>- The production trajectory, in .dcd format (nvt_prod_chitin.tar.xz, uncompressed size 1.9 GB)</p> <p>- 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)</p>
ShareScore
40/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 8
- Harmonization
- 4
- Access
- 20
- Reuse readiness
- 8
- Engagement
- 0
Topics
ScienceDex for faculty
Your academic CV and NIH biosketch
Make your CV in your school's format and your NIH biosketch from it, then download both as Word files.