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We also discuss the atomistic simulation approaches for polymer and PE brushes.
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His theory of experience, therefore, closely parallels the atomistic theory of matter.
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Coarse-grained models that preserve atomistic detail display faster dynamics than atomistic systems alone.
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This is a shrunken, atomistic notion of decision, which disregards intimidation and peer pressure.
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It may be said that the atomistic synthesis, but yesterday so decried, is to-day triumphant.
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Molecular simulation can complement experiments by modeling the dynamical time evolution of biomolecular systems in atomistic detail.
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The observations of electricity in a vacuum, therefore, yield no confirmation whatsoever of the atomistic view of matter.
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In this work, we employ atomistic molecular dynamics simulations to investigate seven GO compositions with different levels of oxygenation.
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The results unravel atomistic details of native-state protein energy landscapes by expanding the knowledge about ground states to transition landscapes.
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Our atomistic models confirmed the importance of calcium ions for the structure of calpains and, as a consequence, their functionality.
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Education needs to shift from the atomistic view that isolates subjects from the whole of reality to a holistic perspective.
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Glucose cross-linking and bioactive functionalization profiles of BSA platform were elucidated and analysed using static lattice atomistic simulations in vacuum.
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These nanostructural measurements are used to inform the construction of atomistic models that exhibit features of cellulose within real, process-relevant biomass.
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Such models can be refined through atomistic MD simulations on small duplexes and then applied to the study of entire chromosomes.
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We present atomistic MD simulations calculating 15,000 small molecule free energies of transfer from water to cyclohexane.
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The hybrid method enables atomistic simulations of unbinding events at the millisecond time scale of atomic force microscopy (AFM) experiments.