Research Interests: Theoretical Chemistry and Molecular Biophysics
Theoretical Chemistry and Molecular Biophysics
Artificial Intelligence (AI) driven inhibitor design.
Integral equal theory for solvation and protein-ligand binding.
Functional conformational changes of RNA polymerase.
|On the advantages of exploiting memory in Markov state models for biomolecular dynamics. Journal of Chemical Physics. 2020;153..|
|Intrinsic cleavage of RNA polymerase II adopts a nucleobase-independent mechanism assisted by transcript phosphate. Nature Catalysis. 2019;2:228-235..|
|Real-time monitoring of hydrophobic aggregation reveals a critical role of cooperativity in hydrophobic effect. Nature Communications. 2017;8..|
|Bridge helix bending promotes RNA polymerase II backtracking through a critical and conserved threonine residue. Nature Communications. 2016;7..|
|Millisecond dynamics of RNA polymerase II translocation at atomic resolution. Proceedings of the National Academy of Sciences of the United States of America. 2014;111:7665-7670..|