Kumar, Sunil and Mishra, T (2020) Organization of Bio-Molecules in Bulk and Over the Nano-Substrate: Perspective to the Molecular Dynamics Simulations. In: Biointerface Engineering: Prospects in Medical Diagnostics and Drug Delivery. Springer Nature Singapore, pp. 149-166.
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The properties of bio-molecules are explicitly influenced by their organization in bulk and vicinity of substrate. Organization of bio-molecules can be of various kinds such as folded, unfolded, helix, swollen, globule, and so forth. These organizations of bio-molecule also depend on the local surrounding environmental conditions like temperature, solvency, adsorption, and encapsulation. Variation in environmental conditions helps to manipulate and control the organizations for the desired applications. Adsorption and encapsulation of bio-molecule over substrate have many applications in the area of drug delivery, design and development of bio-sensors, advance bio-separation process, etc. Molecular dynamics simulation is a very powerful tool to investigate the molecular structures, synthesis process and optimum properties, etc. A large number of efficient force field parameters and molecular dynamics simulators are available for large-scale simulation.
|Item Type:||Book or NML Publication|
|Uncontrolled Keywords:||Bio-molecule Adsorption Desorption Graphene SWCNT Molybdenum disulfide Molecular dynamics simulation|
|Divisions:||Material Science and Technology|
|Deposited By:||Dr. Sunil Kumar|
|Deposited On:||14 Sep 2020 10:37|
|Last Modified:||06 Jan 2021 16:27|
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