In: Journal of Biomolecular NMR, 2015, vol. 62, no. 1, p. 81-95
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In: Journal of Biomolecular NMR, 2015, vol. 62, no. 1, p. 63-69
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In: The Journal of Physical Chemistry C, 2019, vol. 123, no. 48, p. 29192–29202
Molecular dynamics simulations have been performed to investigate the mechanism of thermal energy transport at the interface between n-heneicosane in solid and liquid phases and few-layer graphene at different temperatures under two heating modes (in the “heat-matrix” mode, heat is flowing from the heated heneicosane molecules to the cooled ones through the graphene layers and in the...
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In: Zeitschrift für Physikalische Chemie, 2015, vol. 229, no. 10-12, p. 1575-1607
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In: Experimental Mechanics, 2014, vol. 54, no. 7, p. 1215-1226
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In: European Biophysics Journal, 2014, vol. 43, no. 2-3, p. 113-119
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In: Journal of Biomolecular NMR, 2014, vol. 60, no. 2-3, p. 169-187
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In: The journal of chemical physics, 2013, vol. 138, no. 9, p. 094112
In order to characterise the dynamics of proteins, a well-established method is to incorporate experimental parameters as replica-averaged structural restraints into molecular dynamics simulations. Here, we justify this approach in the case of interproton distance information provided by nuclear Overhauser effects by showing that it generates ensembles of conformations according to the maximum...
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In: Theoretical Chemistry Accounts, 2012, vol. 131, no. 1, p. 1-20
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In: Colloid and Polymer Science, 2002, vol. 280, no. 3, p. 296-300
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