Search Results - "MD"
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Investigation of rare earth-doped ceramics as thermal barrier coating materials
Published 2016Subjects: “…TBC; Ceramic; Thermal Conductivity; MD Simulations; CTE…”
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Computational investigation on the mechanism of oxygen tolerance in the radical SAM enzyme lysine 2,3-aminomutase
Published 2022Subjects: “…MD simulations…”
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Computational analysis of the taxadiene synthase reaction pathway
Published 2025Subjects: Get full text
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Atomistic modelling of scattering data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS)
Published 2016Subjects: “…molecular dynamics (MD); molecular modelling; scattering curve fits; small-angle-neutron scattering (SANS); small-angle-X-ray scattering (SAXS)…”
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