25 citations · 83 across the 11 of their papers we have counts for
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Electrostatic fluctuations in cavities within polar liquids and thermodynamics of polar solvation
Daniel R. Martin, Dmitry V. Matyushov
We present the results of numerical simulations of fluctuations of the electrostatic potential and electric field inside cavities created in the fluid of dipolar hard spheres. We f…
Dynamical transition, hydrophobic interface, and the temperature dependence of electrostatic fluctuations in proteins
David N. LeBard, Dmitry V. Matyushov
Molecular dynamics simulations have revealed a dramatic increase, with increasing temperature, of the amplitude of electrostatic fluctuations caused by water at the active site of…
Energetics and Kinetics of Primary Charge Separation in Bacterial Photosynthesis
David N. LeBard, Vitaliy Kapko, Dmitry V. Matyushov
We report the results of Molecular Dynamics (MD) simulations and formal modeling of the free energy surfaces and reaction rates of primary charge separation in the reaction center…