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Computational Biophysics Group

The research of the Computational Biophysics Group uses statistical mechanics based computational techniques in order to characterize the thermodynamic properties of bimolecular systems in the most fundamental levels. Particular areas of interest include atomistic molecular dynamics simulations of nucleic acids and proteins, code development for AMBER, in particular thermodynamics sampling methods and electrostatics, Multiscale simulations, Monte-Carlo and DFT simulations of metal ions with proteins and nucleic acids, and dynamics of the cytoskeleton.

Our recent work is aimed at understanding atypical DNA and RNA structures – particular those associated with Trinucleotide Repeat Expansion Diseases (TREDs) which are behind many severe neurodegenerative and neuromuscular disorders.

The lab is funded through grants from the National Science Foundation (NSF), National Insitutes of Health (NIH), and NC State Physics Department.

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Some sample videos AMBER Free Energy Workshop.

Lab News:

Dec 20-25, 2018 Upcoming Event:
812-693-9989..

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Copyright © 2019 Computational Biophysics Group, Department of Physics, North Carolina State University.
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For more information, please contact afakhar@ncsu.edu.
662-275-5950