Exploring Grain Boundaries and Phase Boundaries Through Monte Carlo Simulation

Part I. Design of a novel class of reversible non-covalent small molecule inhibitors for human Granzyme B (hGrB) Part II. Curcumin and mimics as proteasome inhibitors Part III. Design of novel coactivator binding inhibitors (CBIs) for the estrogen receptor α : break the 1µM barrier

Line tension assisted membrane permeation at the transition temperature in mixed phase lipid bilayers

Theoretical Studies of the Vibrational Spectra and Relaxation Dynamics of Ice and Water

Potential Energy Surfaces and the Applications to Reaction Dynamics and Molecular Vibrations

Photoelectron Velocity Map Imaging Spectroscopy of Small Beryllium-Containing Anions

Heterogeneity in fast-folding beta proteins

Interfacial Electron Transfer Dynamics from Single Molecules and Quantum Dots Studied by Single-Molecule Fluorescence Spectroscopy

Dynamics of Influenza Virus Hemagglutinin Fusion Peptide Membrane Insertion