Published December 1, 2022 | Version 1.2
Dataset Open

Supporting dataset for the publication "The Crucial Role of Solvation Forces in the Steric Stabilization of Nanoplatelets"

Authors/Creators

  • 1. Max Planck Institute for Polymer Research, Mainz, Germany

Description

Here, we provide an example of our umbrella sampling simulations (35.6 nm²×1.5 nm, 4 ligand beads, 250k solvent molecules), the input and output data of our WHAM calculations, free energy curves, and simulation data from the comparison of the MARTINI force field to the TraPPE-UA force field. Additional, we provide a modified file of the HOOBAS molecular builder. This file includes the "platelet" class we use to create nonoplatelets in our simulations.

 

 

Files

Files (27.7 GB)

Name Size
md5:a20fff77112a9a4fbb4aa30ebf876a8b
19.4 GB Download
md5:d528bed1a615509eb18e89b263e56089
6.7 GB Download
md5:aaa7d1e2e4078cd8cd846f4bd08d099a
102.4 kB Download
md5:cb1a393043ef9d665f297e6aae211d95
1.6 GB Download