Welcome to the Huang Research Group!
The main goal of our lab is to understand and manipulate biomolecular dynamics by developing and applying novel statistical mechanics based methods that can bridge the gap between experiments and simulations.
Examples of our interested research areas include elucidation of functional conformational changes in gene transcription, elucidation of molecular recognition and self-assembly, development of Markov State Model and Generalized Master Equation model for biomolecular dynamics, development of Integral Equation theories for solvation, and development of deep learning methods to predict protein-ligand and protein-RNA interactions.
We welcome four first year graduate students to join the group: Michael O’Conner & Michale Kalin from Biophysics Program, and Yue & Zige from Chemistry Department!
Congratulations to Ilona for winning the Wiley Computers in Chemistry Outstanding Postdoc Award from the American Chemical Society’s COMP Division. Link to the award website from the American Chemical Society COMP Division.
We introduce an Ion-Dipole Correction (IDC) to the 3DRISM solvation model that correctly predicts water distributions around negatively charged solutes, which is especially useful for nucleic acids. This work is part of a JPCB special …
Our group’s EPISOL software, a new package to perform 3DRISM calculations for the solvation is on-line (https://github.com/EPISOLrelease/EPISOL)! It has 22 closures, multiple free energy functionals, and variations of 3DRISM theories! It is compatible with AMBER …
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