25 citations · 83 across the 11 of their papers we have counts for
6 papers · 1 filter
Thermodynamics and Dynamics of a Monoatomic Glass-Former. Constant Pressure and Constant Volume Behavior
Vitaliy Kapko, Dmitry V. Matyushov, C. Austen Angell
We report constant-volume and constant-pressure simulations of the thermodynamic and dynamic properties of the low-temperature liquid and crystalline phases of the modified Stillin…
Redox Entropy of Plastocyanin: Developing a Microscopic View of Mesoscopic Polar Solvation
David N. LeBard, Dmitry V. Matyushov
We report applications of analytical formalisms and Molecular Dynamics (MD) simulations to the calculation of redox entropy of plastocyanin metalloprotein in aqueous solution. The…
What are the benefits of bound (protonation) states for the electron-transfer kinetics?
Dmitry V. Matyushov
We describe a model of electron transfer reactions affected by local binding to the donor or acceptor sites of a particle in equilibrium with the solution. The statistics of fluctu…
Cavity Field in Molecular Liquids. When a Polar Liquid Becomes a Dielectric?
Daniel R. Martin, Dmitry V. Matyushov
We present the results of an analytical theory and simulations of the field inside a cavity created in a dipolar liquid placed in a uniform external electric field. The analytical…
Glassy protein dynamics and gigantic solvent reorganization energy of plastocyanin
David N. LeBard, Dmitry V. Matyushov
We report the results of Molecular Dynamics simulations of electron transfer activation parameters of plastocyanin metalloprotein involved as electron carrier in natural photosynth…
Model Energy Landscapes of Low-Temperature Fluids: Dipolar Hard Spheres
Dmitry V. Matyushov
An analytical model of non-Gaussian energy landscape of low-temperature fluids is developed based on the thermodynamics of the fluid of dipolar hard spheres. The entire excitation…