The Molecular Dynamics Simulation of Peptides on Gold Nanosurfaces
| Autor: | Danilo Roccatano |
|---|---|
| Přispěvatelé: | Ferrari, Enrico, Soloviev, Mikhail |
| Rok vydání: | 2020 |
| Předmět: |
chemistry.chemical_classification
Gold layer Materials science 010304 chemical physics Peptide 02 engineering and technology 021001 nanoscience & nanotechnology Energy minimization 01 natural sciences Force field (chemistry) Molecular dynamics F170 Physical Chemistry chemistry Chemical physics 0103 physical sciences F320 Chemical Physics 0210 nano-technology |
| Zdroj: | Methods in Molecular Biology ISBN: 9781071603185 |
| DOI: | 10.1007/978-1-0716-0319-2_14 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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