Journal of Physical Chemistry & Biophysics

Journal of Physical Chemistry & Biophysics
Open Access

ISSN: 2161-0398

+44 1478 350008

Deepak Chopra

Deepak Chopra
Indian Institute of Science Education and Research,
Bhopal 462066

  • Review Article
    Molecular Dynamics Simulation of Proteins: A Brief Overview
    Author(s): Sachin Patodia, Ashima Bagaria and Deepak ChopraSachin Patodia, Ashima Bagaria and Deepak Chopra

    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. .. View More»
    DOI: 10.4172/2161-0398.1000166

    Abstract PDF

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