Data for: "Atomistic Study of Zwitterionic Peptoid Antifouling Brushes"

Dataset

Description

Molecular dynamics parameters and trajectory supplementary files for 100 ns simulations of Zwitterionic Peptoid Antifouling Brushes.

"Peptoid brush MD setup files.zip" contains setup files for molecular dynamics simulations, all in text format regardless of file extension:
Starting conformations, gromacs topology, and index files for each system
Gromacs run parameter file (nvt.mdp) - same for all simuulations
Topology and parameter files for rutile surface
Replacement residuetypes, ffbonded and ffnonbonded files

"Peptoid_brush_MD_trajectory_videos.zip" contains video files of molecular dynamics simulations in .mpg mpeg format.
Date made available14 Dec 2018
PublisherUniversity of Strathclyde
Date of data production9 Jun 2018

Cite this

Lau, K. H. A. (Contributor), Cheung, D. (Creator). (14 Dec 2018). Data for: "Atomistic Study of Zwitterionic Peptoid Antifouling Brushes". University of Strathclyde. simulation_files(.zip), Peptoid_brush_MD_trajectory_videos(.zip). 10.15129/f77d8e17-9832-4263-bc52-400d0a41f72f