The Molecular Dynamics Simulation of Peptides on Gold Nanosurfaces.

Q4 Biochemistry, Genetics and Molecular Biology

Methods in molecular biology Pub Date : 2020-01-01 DOI:10.1007/978-1-0716-0319-2_14

Danilo Roccatano

引用次数: 1

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.

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肽在金纳米表面的分子动力学模拟。

本章提供了一个简短的教程，介绍了在未涂覆的金纳米表面界面上制备溶液中肽的分子动力学(MD)模拟。具体来说，一步一步的程序将指导使用程序Gromacs进行MD模拟，在金层上建立16个氨基酸长的抗菌肽的模拟。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Methods in molecular biology Biochemistry, Genetics and Molecular Biology-Genetics

CiteScore

2.00

自引率

0.00%

发文量

3536

期刊介绍： For over 20 years, biological scientists have come to rely on the research protocols and methodologies in the critically acclaimed Methods in Molecular Biology series. The series was the first to introduce the step-by-step protocols approach that has become the standard in all biomedical protocol publishing. Each protocol is provided in readily-reproducible step-by-step fashion, opening with an introductory overview, a list of the materials and reagents needed to complete the experiment, and followed by a detailed procedure that is supported with a helpful notes section offering tips and tricks of the trade as well as troubleshooting advice.