2 citations · 2 across the 4 of their papers we have counts for
4 papers
Solvent Mixing Effect on Free-Energy Barrier and Stability for Molecular Recognition Driven by the Translational Motion of Solvent Molecules
Mika Matsuo, Ryo Akiyama
We calculated the potentials of mean force (PMFs) between a ring-like host and a spherical guest in a solvent mixture. We adopted hard-body interactions between particles to discus…
Decomposition of Friction Coefficients to Analyze Hydration Effects on a C(OH)
Tomoya Iwashita, Yuki Uematsu, Masahide Terazima +1
To analyze hydration effects on macromolecular diffusion, the friction coefficients of macromolecules were examined using molecular dynamics simulations with an all-atom model. In…
Spatial distribution of reduced density of hard spheres near a hard-sphere dimer: Results from three-dimensional Ornstein-Zernike equations coupled with several different closures and from grand canonical Monte Carlo simulation
Mika Matsuo, Yuka Nakamura, Masahiro Kinoshita +1
We calculated the spatial distribution of reduced density and pair distribution function (PDF) of solvent hard spheres near a solute using three-dimensional Ornstein-Zernike (OZ) e…
Integral equation study of effective attraction between like-charged particles mediated by cations: Comparison between IPY2 and HNC closures
Michika Takeda, Kotetsu Maruyama, Ryo Akiyama +1
Effective interactions between like-charged particles immersed in an electrolyte solution were calculated using two integral equation theories, hypernetted-chain (HNC)-Ornstein--Ze…