MD Simulations of alpha-Synuclein and TNF Receptors
These researchers are using MSI resources for three projects concerning membrane proteins.
The first is an investigation of how alpha-Synuclein, a protein involved in Parkinson’s disease, alters the mechanical properties of synaptic vesicles. This research involves coarse-grained molecular dynamics simulations that will be among the largest ever published. This work will build on recent publications.
The second project studies the conformational dynamics of Tumor Necrosis Factor Receptors using potential of mean force calculations. This work will also build on recently published research.
In the final project, the researchers will simulate a series of proteins, including alpha-Synuclein and Calmodulin in both oxidized and unoxidized states. This project involves longtime-scale all-atom MD simulations and involves University of Minnesota and MSI collaborators (Jiali Gao and William Pomerantz, both Department of Chemistry).
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