Welcome to the Wei Yang Lab
Research in Computational Biophysics
P1050260 - Copy (2)

Although experimental biochemical & biophysical measurements have been developed rapidly, understanding and designing complex biomolecular systems is still quite challenging. Computer simulation based on captured biopolymer structures (by X-ray, NMR etc.) can be an essential complementary technique to catalyze our exploration of the microscopic world. Due to the complexity of biological systems in both length scale and time scale, biomolecular simulation needs to be both functional and efficient; facing this challenge, my research interest targets the development and application of state-of-the-art multi-spectrum atomistic simulation techniques including QM/MM calculation, free energy simulation, conformation path simulation, motion analysis, etc., to understand the hidden nature of complex biological phenomena. Specifically, my research program includes three directions:

1. First principle based protein and ligand design;

2. Simulation study of multi-timescale biochemical & biophysical events such as DNA repair, motion-coupled biomolecular recognition, and enzymatic reactions;

3. Development of simulation techniques to describe complex systems and enhance efficiency of biomolecular simulations.


Yang, Wei
Dr. Wei Yang
Professor of Chemistry & Biochemistry
Molecular Biophysics Graduate Faculty

Institute of Molecular Biophysics website
Department of Chemistry & Biochemistry website

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Office 418A KLB | Lab 418 KLB
Kasha Laboratory Building
Institute of Molecular Biophysics
Florida State University
Tallahassee, FL 32306-4380
Office: (850) 645-6884 |  Lab: (850) 645-6885
Email: yyang2@fsu.edu