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Physics Colloquium: Physics-based Simulations to Understand the Molecules of Life

This is a past event.

Friday, September 20, 2019 at 1:30pm to 2:30pm

PG6 - Tech Station, 112
11200 SW 8th ST 33199, PG6 - Tech Station, Miami, Florida 33199

Dr. Prem Chapagain
Physics Department, FIU

Abstract: Trajectories of molecular motion generated by Newton's equation of particle motion can provide unprecedented details and complex relationships among biomolecular structure and function. The exponential increase in the computational power as well as vast improvements in the force field, many-particle molecular simulations are beginning to give accurate predictions of biomolecular structure and dynamics. This development has marked a significant turning point in the physics-based investigations of the molecules of life. 

Today, MD has found numerous applications, ranging from structure refinement of low-resolution crystal data to designing new enzymes or drugs. With the increasing success and interest in the field, this technique is poised to make great contributions towards computer-aided drug discovery efforts in treating a myriad of diseases. In this talk, projects that are currently investigated in our Theoretical Biophysics lab, including fluorescent proteins, transformer proteins, protein aggregation, membrane-protein interactions, and virtual drug screening, will be discussed.

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