most citedPretty Fast Analysis: An embarrassingly parallel algorithm for biological simulation analysis

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physics.bio-ph2008

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…

physics.bio-ph2007

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…