My main research interests lie in computational structural biology. My study has two directions with focusing on developing computational models and/or algorithms.
The first direction is developing algorithms for the normal mode analysis. The normal mode analysis (NMA) is a computational model that can describe intrinsic dynamics of biomolecular systems (such as proteins) in a form of the normal modes showing the deformation of protein structures and the their corresponding vibrational frequencies. Even though NMA provides a complete analytical solution of protein dynamics, there are limitations in using NMA because of its high computational cost. My goal in this direction is i) to develop efficient computational tools that can overcome the limitations of NMA, and ii) to study the properties of the normal modes.
My second direction is applying NMA and developing NMA-based algorithms that can unveil the functional mechanism of biomolecular systems (such as proteins).
The normal mode analysis (NMA) and its properties
Application of NMA: Protein-Solvent interaction
Application of NMA: Ligand Migration Channel Detection and Evaluation
