Supporting dataset for the publication "The Crucial Role of Solvation Forces in the Steric Stabilization of Nanoplatelets"
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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.
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Zenodo创建时间：
2022-04-20
