2020-09-29 17:06 Molecular dynamics (MD) simulation is an in-silico simulation technique applied to study the physical movements of atoms and molecules. It enables one to use the laws of physics to predict the time-dependent evolution of interacting particle systems. In this approach, atoms and molecules are allowed to interact within a given period of time, thus giving a view of the dynamic evolution of the system. The static models generated by X-ray crystallography, NMR spectroscopy, and homology modeling provide a basic three-dimensional (3D) structural model for biomolecular molecules, while MD simulations can offer atomic-level information about the conformational changes and binding thermodynamics of biomolecular molecules under predetermined physiological conditions. Creative Biostructure utilizes MD simulation methods to help customers predict changes in protein systems involved in coronavirus-related studies over time or under predefined physiological conditions, thereby accelerating the research of new antiviral drugs.
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