My main projects investigate the dynamic dance that protein molecules perform. Molecules are often pictured with fixed rigid structures, yet these representations yield only some aspects of their properties. I like to use the analogy between a photo and a movie: while a photo can tell you a lot, even the best of them are not enough to capture all aspects of the movements. In essence, this is what I do: I try to “film” protein molecules. Now, this is not just an exercise in fancy film making, but ultimately enables these molecular dances to be related to functional aspects of protein molecules.
Reasearch Projects
-Fundamental Studies of Protein Dynamics
dynamics of hydrophobic cores, solvent exposed residues, and characterizations of dynamical transitions;
dynamics of hydration shells in proteins.
-Dynamics of Amyloid-beta protein, involved in Alzheimer's Disease
Studies of amyloid fibrils in different morphologies, effects of solvation, and dynamical transitions
-Dynamics of cobalamins using solid-state NMR
Studies of B12 and analogs, as well as changes in flexibility upon binding to peptides mimicking in cell interactions
-Water content and dynamics at subfreezing temperatures in Antarctic soils
Characterization of dynamical process at water-grain interfaces
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development of quadrupolar solid-state NMR methods for studies of molecular dynamics
Main Experimental tools:
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Nuclear Magnetic Resonance Spectroscopy
Methods for investigation of molecular flexibility in the solids state using deuterium , oxygen-17 NMR, and cobalt-59 nuclei
Cross-correlated relaxation methods in solution
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Computational modeling
Development of motional models based on experimental data, programs for simulations of dynamics
Other tools that we use: transmission electron microscopy, dynamic light scattering,
analytical reversed-phase high pressure LC
