T. Sumikama

Conformational dynamics of an intrinsically disordered receptor enable signal transduction

Peptides display multilayered hydration shell substructures dictated by sequence-specific surface chemistry

Water is crucial for life, mediating intermolecular interactions that govern protein stability, molecular recognition, and biological function. While insights into protein hydration have been obtained using spectroscopic, scattering, and computational approaches, direct real-space visualization of hydration architectur...

Development of United-Atom Force Fields for Monomeric and Oligomeric Ionic Liquids through Regression-Guided Optimization of Electronic Continuum Correction Parameters

Ionic liquids are salts that exist in the liquid state at room temperature and exhibit high viscosity because of their strong electrostatic interactions. It was difficult to reproduce their viscosity by molecular dynamics simulations with conventional nonpolarizable force fields; however, recent development of force fi...