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by
Reid, Daniel Robert, author.
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introduce a GPU-based molecular dynamics engine, DASH, which provides high performance and several new
by
Ma, Manyuan, author.
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We also examined the origin of these differences by molecular dynamics, MD, simulation. Here, we
by
Streacker, Louis M., author.
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calculations and vibrational spectroscopic calculations onto ab-initio molecular dynamics simulation results
by
Kotewicz, Kristin M., author.
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tubular ER dynamics, resulting in tubule rearrangements as well as structural alterations to Rtn4 proximal
by
Brown, Joel Michael, author.
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calcium homeostasis. Results from the molecular characterization of mouse 1D mutants, as well as from time
by
Kim, Dokyong, author.
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-cysteine. To better understand the molecular details of how SufS and SufE interact, we applied backbone amide
by
Rodgers, Jeffrey Michael, author.
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fluorescence emissions have played a key role in studying the structure-dynamics-function relationship of
by
Drahushuk, Lee William, author.
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a N 2/H2 separation and as an explanation for results observed in the molecular dynamics literature.
by
Coles, Samuel, author.
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supercapacitors. This thesis details work where molecular dynamics simulations have been used to explore the
by
Fatehiboroujeni, Soheil, author.
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problem framework that can leverage the data provided by physical experiments and molecular dynamics
by
Cheshire, Thomas Paul, author.
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are exposed to solvent. Molecular dynamics (MD) simulations suggest that fluctuations in the side
by
Manley, Eric Fridstein, author.
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additive/semiconductor molecular interaction. The differing dynamics between additives with side