Liane Russell Candidate Seminar: Studying the Missense Mutations and Hydration Water Dynamics by Molecular Dynamics Simulation and Neutron Scattering

10:00 AM - 11:00 AM
Zhe Zhang, Clemson University, Clemson, SC
Biology and Soft Matter Division
Weinberg Auditorium

Email: Tim McKnight

Missense mutation is a point mutation in which a single nucleotide is changed, resulting in a codon that codes for a different amino acid. This kind of mutation is frequently found to affect the native function of proteins by altering their structure, interaction and other properties and cause diseases. A particular disease is the Snyder-Robinson syndrome (SRS), which is an X-linked mental retardation disorder found to be caused by missense mutations in human spermine synthase (SMS). A rational approach based on molecular dynamics (MD) simulation to predict the effects of missense mutations on SMS wild-type characteristics was carried. Following this work, a structure-based virtual screening of small molecules was applied to rescue the disease-causing effect by searching the small molecules to stabilize the malfunctioning SMS mutant dimer. Besides this work, another research on hydration water dynamics by MD simulation and neutron scattering was also carried due to their important role in general polymer system and we revealed the mechanism of effects of ions on hydration water dynamics.

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Liane Russell Candidate


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