Research Field

Theoretical calculations and simulations are powerful tools in understanding biological processes and the properties of soft matter systems at the atomistic level. We uses various methods ranging from ab initio (DFT) simulations to mesoscopic simulations, including atomistic coarse-grained molecular dynamics, to investigate the self-assembly of spherical nucleic acids (SNAs) driven with DNA-based nanomachines and to understand the curvature-mediated interactions. These methods are also used to explore the physical properties of nucleic acids and the biophysics of toehold-mediated strand displacement reaction. We also collaborate with experimentalists to study red‐light‐mediated photoredox catalysis and the interactions of polymer moleculecules with membranes. Our current research projects are listed as following. 

(1) The biophysics of toehold-mediated strand displacement reaction and DNA reaction network.

(2) The nanoparticle (NP) assembly directed using DNA molecular machines.

(3) Membrane-mediated interactions.

(4) The selective interactions of polymer molecules with membranes.