Himanshu Khandelia, PhD
Research Assistant ProfessorMEMPHYS, Center for Biomembrane Physics
University of Southern Denmark, Odense, Denmark
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Himanshu Khandelia, PhD
Research Assistant Professor |
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ResearchSimulations of Membranes, Membrane Proteins and other Membrane-Associated PhenomenaI use molecular dynamics (MD) simulations and related methods to investigate the self-assembly, phase behavior and interaction networks of a range of biological systems, particularly biological membranes and membrane-associated phenomena.In MD simulations, a complex molecular assembly is modeled by a set of interacting particles, whose evolution in time and space is calculated by numerical integration of Newton's second law. The method is rigorously based on the laws of statistical mechanics, and allows calculation of bulk thermodynamic properties while simultaneously providing atomic-scale resolution of molecular behavior that cannot directly be obtained from analytical measurements alone. Our simulations interface closely with experiments, and several collaborations with leading experimental groups have been established. Examples of the problems investigated range from the molecular mechanism of functioning of biological motors to the phase behavior of ternary lipid mixtures and transport of molecules across membranes. The goal of these investigations is to examine the fundamental molecular basis of diseased states resulting from a perturbation of these interactions, thus motivating biotechnological applications and the rational development of therapeutic remedies and drugs. I currently work at MEMPHYS, Center for Biomembrane Physics, an interdisciplinary center renowned for its unique amalgam of theoreticians, experimentalists, and simulation experts. |
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