Πλοήγηση ανά Θέμα "MOLECULAR-DYNAMICS SIMULATIONS"
Αποτελέσματα 1-3 από 3
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Conformational analysis of two novel cytotoxic C2-substituted pyrrolo 2,3-f quinolines in aqueous media, organic solvents, membrane bilayers and at the putative active site
(2012)We have performed: (i) conformational analysis of two novel cytotoxic C2-substituted pyrrolo[2,3-f]quinolines Se and 5g in deuterated dimethylsulfoxide (DMSO-d(6)) utilizing NOE results from NMR spectroscopy; (ii) molecular ... -
Fluid Flow at the Nanoscale: How Fluid Properties Deviate from the Bulk
(2013)The studies of fluid flows have been lately transferred to a significant extend at the micro- and the nano-scale, since there is increasing interest in applications that could make possible the construction of systems from ... -
Surface wettability effects on flow in rough wall nanochannels
(2012)The effect of rough-wall/fluid interaction on flow in nanochannels is investigated by NEMD. Hydrophobic and hydrophilic surfaces are studied for walls with nearly atomic-size rectangular protrusions and cavities. Our NEMD ...