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Standard Molecular Dynamics Simulations of Biological Systems

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Computer Simulations in Molecular Biology

Part of the book series: Scientific Computation ((SCIENTCOMP))

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Abstract

This chapter describes how to run standard MD simulations of a biological system in explicit solvent using different statistical ensembles and numerical integrators.

The chapter aims to show running standard molecular dynamics simulations of biological systems in explicit solvent.

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Authors and Affiliations

  1. Computer Engineering, International Balkan University, Skopje, North Macedonia

    Hiqmet Kamberaj

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  1. Hiqmet Kamberaj
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Correspondence to Hiqmet Kamberaj .

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Kamberaj, H. (2023). Standard Molecular Dynamics Simulations of Biological Systems. In: Computer Simulations in Molecular Biology. Scientific Computation. Springer, Cham. https://doi.org/10.1007/978-3-031-34839-6_12

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