Pavan, Giovanni Maria and Barducci, Alessandro and Albertazzi, Lorenzo and Parrinello, Michele (2013) Combining metadynamics simulation and experiments to characterize dendrimers in solution. Soft Matter, 9. pp. 2593-2597. ISSN 1744-6848
Full text not available from this repository.Abstract
We report a combined theoretical–experimental approach to characterize dendrimers and Polyethylene Glycol (PEG)–dendrimer hybrids in solution. Well-tempered metadynamics simulation allows for an exhaustive sampling of the conformational fluctuations in solution. In contrast to classical molecular dynamics, molecular flexibility can also be captured. Simulations are in agreement with our dynamic light scattering experiments providing a complete picture of these semi-flexible molecules in solution.
| Item Type: | Scientific journal article, Newspaper article or Magazine article |
|---|---|
| Subjects: | Physical sciences > Chemistry > Physical chemistry |
| Depositing User: | Giovanni Maria Pavan |
| Date Deposited: | 23 Aug 2016 06:49 |
| Last Modified: | 23 Aug 2016 06:49 |
| URI: | http://repository.supsi.ch/id/eprint/7631 |
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