Published January 13, 2022 | Version v1

United Atom Parameters for United Atom Multiscale Modelling Of Bio-Nano Interactions Of Zero-Valent Silver Nanoparticles

Authors/Creators

  • 1. University College Dublin, School of Physics

Description

Short-range surface adsorption potentials of carbohydrates, lipid fragments, and amino acid side chains in tabulated form.

Calculated via AWT-MetaD (Gromacs/Plumed).

Force Fields: INTERFACE/CHARMM36.

Material: zero-valent silver

Files

UA_PMFs_silver_zero_valent.zip

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