Research in the Computational Biophysics Laboratory concentrates on the development of computational tools to answer complex questions at the interface of physics, biology and chemistry for medical and industrial purposes. We focus on four areas: designing new biomaterials with superior mechanical strength through the aggregation of proteins into extended fibril-like structures that are biodegradable and biocompatible; investigating the cell toxicity of amyloid proteins responsible for degenerative diseases like Alzheimer’s and Parkinson’s; developing computational tools to predict how organic molecules in the cell modulate the stability of protein conformations; and understanding how water structures account for the stability of biomolecules and different phases of natural gases. We use multiscale approaches to provide atomic resolution of macroscopic structures in order to understand and control systems, by self-organization or by design, from nanometer to mesoscopic scales. Experimental methods used to validate our simulations include, but are not limited to, cell and single-molecule imaging techniques.
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