Molecular Dynamics Simulation of Proteins: A Brief Overview
Received Date: Oct 04, 2014 / Accepted Date: Oct 28, 2014 / Published Date: Oct 31, 2014
MD simulation has become an essential tool for understanding the physical basis of the structure of proteins and their biological functions. During the current decade we witnessed significant progress in MD simulation of proteins with advancement in atomistic simulation algorithms, force fields, computational methods and facilities, comprehensive analysis and experimental validation, as well as integration in wide area bioinformatics and structural/systems biology frameworks. In this review, we present the methodology on protein simulations and recent advancements in the field. MD simulation provides a platform to study protein–protein, protein–ligand and protein–nucleic acid interactions. MD simulation is also done with NMR relaxation timescale in order to get residual dipolar coupling and order parameter of protein molecules.
Keywords: Molecular dynamics simulation; Force field; Residual dipolar coupling; Orders parameter
Citation: Patodia S, Bagaria A, Chopra D (2014) Molecular Dynamics Simulation of Proteins: A Brief Overview. J Phys Chem Biophys 4: 166. Doi: 10.4172/2161-0398.1000166
Copyright: © 2014 Patodia S, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
Select your language of interest to view the total content in your interested language
Share This Article
- Total views: 15235
- [From(publication date): 11-2014 - Dec 14, 2018]
- Breakdown by view type
- HTML page views: 11017
- PDF downloads: 4218