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Although there are standard methods to experimentally probe conformational change (x-ray crystallography, NMR, cryo-EM), it is theoretically difficult to explain and predict this phenomenon. Conformational change occurs in timescales currently inaccessible to molecular dynamics simulations available today, and therefore other computational methods have to be applied, which may be limited to simpler or coarse-grained representations of the molecules. We develop tools to study conformational change in large biomolecules using the normal mode approach.Other Interests: Protein folding and energetics. Free energy calculations. Multiscaling of biological systems. Dynamic systems. The Ribosome.
Member since Jun 24, 2005
Member of 2 projects
Member of 2 projects