Cause: cancer
These projects aim to simulate the dynamics of a large number of designed mini-proteins (< 50 residues), to establish the ability of molecular simulations to accurately predict thermodynamic and kinetic effects of designed mutations. We aim to develop a library of experimental and simulation data so we can compare the performance of different techniques for computational protein design, such as adaptive sampling. Prediction and design of mini-protein structure and dynamics is highly relevant to developing new biotherapeutics for a wide range of human diseases.
Project System
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16935 chignolin
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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