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Author

Norio Yoshida

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Aug 2026

Accurate Atomic Decomposition Method in 3D-RISM Theory via Multi-Input Linear Correction: Application to the Protein Hydrophobic Core.

Solvation free energy (SFE) is a fundamental thermodynamic quantity governing biomolecular processes in solution. Although the atomic decomposition method derived from the Kirkwood charging formula enables site-resolved evaluation of SFE contributions, its application within the three-dimensional reference interaction...

Yutaka Maruyama, Norio Yoshida · 0 citations
Aug 2026

A Gradient-Corrected Polarizable Continuum Model for Improved Reaction Fields at the SCF Level.

We propose an improved model, termed the gradient-corrected PCM (GCPCM), for improving the energy accuracy of the polarizable continuum model (PCM). Our previous study revealed deficiencies of PCM in describing the reaction field, i.e., the electrostatic potential generated by the solvent. These deficiencies can be par...

Y. Kanamaru, Norio Yoshida, Toru Matsui · 0 citations

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