Shadrack Jabes, B. and Klein, R. and Delle Site, L. (2018) Structural Locality and Early Stage of Aggregation of Micelles in Water: An Adaptive Resolution Molecular Dynamics Study. Advanced Theory & Simulations, 1 (6).
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Official URL: https://dx.doi.org/10.1002/adts.201870014
Abstract
In article number 1800025, Luigi Delle Site and co‐workers employ the adaptive resolution method as a computational magnifying glass to zoom in on the analysis of essential aspects in molecular dynamics studies. They analyze the aggregation of two micelles in water and calculate the free energy of aggregation, measurable in experiments. This is the first step of formation of more complex structures such as biological membranes, of central interest in current biophysical and biochemical research. Structural locality and early stage of aggregation of Micelles in Water: An Adaptive Resolution Molecular Dynamics Study, , 1, , Wiley Online Library
| Item Type: | Article |
|---|---|
| Additional Information: | article number 1800025 |
| Subjects: | Mathematical and Computer Sciences > Mathematics > Applied Mathematics |
| Divisions: | Department of Mathematics and Computer Science > Institute of Mathematics > Geophysical Fluid Dynamics Group |
| ID Code: | 2312 |
| Deposited By: | Ulrike Eickers |
| Deposited On: | 18 Mar 2019 10:35 |
| Last Modified: | 17 May 2019 11:32 |
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