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The research in the Voth group involves theoretical and computer simulation studies of biomolecular and liquid state phenomena, as well as of novel materials. A primary goal of this effort is the development and application of new computational methodologies to explain and predict the behavior of complex systems. Such methods are developed, for example, to probe phenomena such as protein-protein self-assembly, membrane-protein interactions, biomolecular and liquid state charge transport, complex fluids and nanoparticle self-assembly. Specific examples of research projects include:
Multiscale Theory and Simulation: The Voth group has a key focus on the development of powerful multiscale theory and computational methods for complex biomolecular systems. These multiscale methods include systematic coarse-graining approaches, mesoscopic modeling, and multiscale bridging between all of the relevant scales. Our multiscale methods are being applied to filaments (such as actin, shown in Fig. 1), microtubules, biological membranes and membrane proteins, nucleic acids, peptide aggregation and self-assembly, carbohydrates, and viral capsids.
Multiscale Theory and Simulation: The Voth group has a key focus on the development of powerful multiscale theory and computational methods for complex biomolecular systems. These multiscale methods include systematic coarse-graining approaches, mesoscopic modeling, and multiscale bridging between all of the relevant scales. Our multiscale methods are being applied to filaments (such as actin, shown in Fig. 1), microtubules, biological membranes and membrane proteins, nucleic acids, peptide aggregation and self-assembly, carbohydrates, and viral capsids.
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Biophysical Journal (2024)
Journal of the American Chemical Societyno. 2 (2024): 1612-1618
crossref(2024)
JOURNAL OF PHYSICAL CHEMISTRY Cno. 32 (2023): 16175-16186
Current opinion in structural biology (2023): 102642-102642
JOURNAL OF CHEMICAL PHYSICSno. 16 (2023)
The Journal of chemical physicsno. 23 (2023)
JOURNAL OF CHEMICAL PHYSICSno. 22 (2023)
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