دورية أكاديمية
Mutually Beneficial Combination of Molecular Dynamics Computer Simulations and Scattering Experiments
| العنوان: | Mutually Beneficial Combination of Molecular Dynamics Computer Simulations and Scattering Experiments |
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| المؤلفون: | Zec, N., Mangiapia, G., Hendry, A.C., Barker, R., Koutsioubas, A., Frielinghaus, H., Campana, M., Ortega-Roldan, J.L., Busch, S., Moulin, J. |
| المصدر: | issn:2077-0375 ; Zec, N.; Mangiapia, G.; Hendry, A.C.; Barker, R.; Koutsioubas, A.; Frielinghaus, H.; Campana, M.; Ortega-Roldan, J.L.; Busch, S.; Moulin, J.: Mutually Beneficial Combination of Molecular Dynamics Computer Simulations and Scattering Experiments. In: Membranes. Vol. 11 (2021) 7, 507. (DOI: /10.3390/membranes11070507. |
| بيانات النشر: | MDPI |
| سنة النشر: | 2021 |
| الوصف: | We showcase the combination of experimental neutron scattering data and molecular dynamics (MD) simulations for exemplary phospholipid membrane systems. Neutron and X-ray reflectometry and small-angle scattering measurements are determined by the scattering length density profile in real space, but it is not usually possible to retrieve this profile unambiguously from the data alone. MD simulations predict these density profiles, but they require experimental control. Both issues can be addressed simultaneously by cross-validating scattering data and MD results. The strengths and weaknesses of each technique are discussed in detail with the aim of optimizing the opportunities provided by this combination. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| تدمد: | 2077-0375 |
| العلاقة: | https://dx.doi.org/10.3390/membranes11070507Test; urn:issn:2077-0375; https://publications.hereon.de/id/40266Test; https://publications.hzg.de/id/40266Test |
| DOI: | 10.3390/membranes11070507 |
| الإتاحة: | https://doi.org/10.3390/membranes11070507Test https://publications.hereon.de/id/40266Test https://publications.hzg.de/id/40266Test |
| حقوق: | info:eu-repo/semantics/openAccess ; open_access ; oa_gold |
| رقم الانضمام: | edsbas.16E92959 |
| قاعدة البيانات: | BASE |
Full Text Finder | تدمد: | 20770375 |
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| DOI: | 10.3390/membranes11070507 |