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Dorel Moldovan: Molecular Dynamics Simulation Studies of Interfacial Phenomena in Biomolecular Systems

Professor, Department of Mechanical and Industrial Engineering
Louisiana State University

Biomolecular systems such as DNA, proteins, and cell membranes have unique attributes that make them suitable for a variety of applications of great importance in pharmaceuticals, biosciences, and biomedical engineering. Much of the scientific and engineering advancements in these areas are hindered by the current limited understanding of the fundamentals of these molecules interaction and transport properties in the presence of various surfaces/interface. In this seminar I will present our recent investigations, using large-scale atomistic simulations and free energy calculations, of a host of open research problems pertaining to the areas of cryopreservation, drug development and delivery, and DNA sequencing. Specifically, I will review the findings of our investigations into: i) the role of various chemicals in modulation of transport properties across lipid bilayers; ii) absorption, positioning of vitamin E and lignin dimers into lipid bilayers, and iii) the understanding the mechanism of DNA translocation through nanochannels.