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physics.chem-ph2026
IEPDYN: Integral-equation formalism of population dynamics
Kento Kasahara, Ryo Okabe, Chia-en A. Chang +2
We propose the integral-equation formalism of population dynamics (IEPDYN) to describe the population dynamics of distinct configurational states. According to classical reaction d…
physics.chem-ph2024
Flexible framework of computing binding free energy using the energy representation theory of solution
Kazuya Okita, Yusei Maruyama, Kento Kasahara +1
Host-guest binding plays a crucial role in the functionality of various systems, and its efficiency is often quantified using the binding free energy, which represents the free-ene…