Many protein mutations cause disease, and developing new methods to computationally predict of the effects of mutations is critically important to advance our understanding and treatment of disease. With this in mind, these projects are aimed at simulating the folding of several mutants of well-studied mini-proteins.
We are trying to understand how mutations change the folding landscape, the performance of different force fields, and how we can use new methodology to better identify and efficiently sample mutation-induced changes in kinetics and conformational populations.
List of Contributors
This project is managed by Prof. Vincent Voelz at Temple University.
Dr. Voelz's research focuses on using new simulation methods to unravel the mysteries of how proteins self-assemble into their functional folds, and to design folding and binding properties of proteins and peptide mimetics from first principles. The Voelz Lab participates in the Folding@home project, hosting two servers at Temple University. Dr. Voelz was formerly a postdoctoral scholar in the Vijay Pande lab at Stanford University.
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