Osaka University · School of Engineering Science / Graduate School of Engineering Science

Research keywords3D-RISM・solvation free energy・energy representation theory・protein folding・molecular dynamics・reference-modified density functional theory・RISM calculations・SARS-CoV-2 RBD-ACE2

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• High-Precision Solvation Free Energy Calculation via Multi-Input Linear Correction in 3D-RISM Theory2026 · Journal of Chemical Theory and Computation 2026年3月24日 研究論文（学術雑誌）
• Truncated Hypernetted Chain Approximation: Accurate Functional for Energy Representation Theory2025 · Journal of Chemical Theory and Computation 2025年10月28日 研究論文（学術雑誌）
• ERmod‐OpenACC: GPU Acceleration of Solvation Free Energy Calculation With Energy‐Representation Theory2025 · Journal of Computational Chemistry 2025年6月15日 研究論文（学術雑誌）
• Correlation between Solvation Free Energy and Solute–Solvent Interaction Energy in Energy Representation Theory2025 · The Journal of Physical Chemistry B 2025年12月15日 研究論文（学術雑誌）

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