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Updated: Dec 26, 2025
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Insights into the Interactions of Amino Acids and Peptides with Inorganic Materials Using Single-Molecule Force Spectroscopy
Published on: March 6, 2017
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The Molecular Dynamics Simulation of Peptides on Gold Nanosurfaces
1School of Mathematics and Physics, University of Lincoln, Lincoln, UK. droccatano@lincoln.ac.uk.
Methods in Molecular Biology (Clifton, N.J.)
|March 11, 2020
Abstract:
This chapter contributes a short tutorial on the preparation of molecular dynamics (MD) simulations for a peptide in solution at the interface of an uncoated gold nanosurface. Specifically, the step-by-step procedure will give guidance to set up the simulation of a 16 amino acid long antimicrobial peptide on a gold layer using the program Gromacs for MD simulations.
