Related papers: Long-Time Mean Square Displacements in Proteins

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We consider the equation of the Jeffreys type as the basic one in three different models of mass transfer, namely, the Jeffreys type and two-phase models, and the $D_1$ approximation to the linear Boltzmann equation. We study two classic 1…

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The limits of molecular dynamics (MD) simulations of macromolecules are steadily pushed forward by the relentless developments of computer architectures and algorithms. This explosion in the number and extent (in size and time) of MD…

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In diverse biological applications, particle tracking of passive microscopic species has become the experimental measurement of choice -- when either the materials are of limited volume, or so soft as to deform uncontrollably when…

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Accounting for nuclear quantum effects (NQEs) can significantly alter material properties at finite temperatures. Atomic modeling using the path-integral molecular dynamics (PIMD) method can fully account for such effects, but requires…

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