Can I read Molecular Dynamics Simulations on EtoBox?

Molecular Dynamics Simulations by Hemant Arya; Tarun Kumar Bhatt is a book available to read on EtoBox.

What is Molecular Dynamics Simulations about?

Molecular dynamics (MD) simulation is a physics-based powerful computational tool to study the structure and dynamics of biological complexes [1,2]. On the other hand, molecular dynamics simulation is a principle approach for the theoretical study of biomolecules. In molecular dynamics simulation, timedependent interactions between biomolecules (protein-protein, protein-nucleic acid, protein-ligand, etc.) will be recorded and analyzed. Many researchers carry out molecular docking to predict the protein/protein or ligand or nucleic acid interactions, followed by MD simulations to predict the stability of these interactions in a dynamic environment [1,3]. The aim of molecular dynamics in bioinformatics is to understand protein stability, protein folding, fluctuation and conformational changes in the biomolecule's structure, etc. Nowadays, MD is being used in the field of drug design, nanobiotechnology and various others field of science. Molecular dynamics use force fields to illustrate the atomiclevel properties of biomolecules. Force field (FF) [4] is used to estimate forces between interacting atoms of biomolecules and further calculate the overall energy of the molecular system b

Author

Hemant Arya; Tarun Kumar Bhatt

Publisher

Elsevier

Published

2021

Language

EN