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Author

Takeshi Fukuma

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Open access Aug 2026

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...

Ayhan Yurtsever, Fabio Priante, Lin-Hao Sun et al. · 0 citations
Open access Jul 2026

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...

Md Fahim Newaz, Takahiko Ikarashi, Takeshi Fukuma et al. · 0 citations

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