How Does the Study MD of pH-Dependent Exposure of Nanoparticles Affect Cellular Uptake of Anticancer Drugs?

Autor: Sengottiyan, Selvaraj¹ (AUTHOR), Mikolajczyk, Alicja¹ (AUTHOR) alicja.mikolajczyk@ug.edu.pl, Puzyn, Tomasz¹ (AUTHOR) alicja.mikolajczyk@ug.edu.pl

Publikováno v: International Journal of Molecular Sciences. Feb2023, Vol. 24 Issue 4, p3479. 18p.

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Integrating electronic properties of Prodan by parameterization: Combining theory with experimentation

Autor: Selvan Nehru, Sengottiyan Selvaraj

Publikováno v: Selvaraj, S & Nehru, S 2021, ' Integrating electronic properties of Prodan by parameterization : Combining theory with experimentation ', Journal of Molecular Structure, vol. 1241, 130639 . https://doi.org/10.1016/j.molstruc.2021.130639

In order to investigate the excitation properties of soluble Prodan from its ground state in methanol as a solvent, we use a sequence of approaches based on QM/MD/PE-QM/MM calculations. In order to obtain reliable TD-DFT results, this approach is att

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3aa34906cf4f8911b3f8c723fbed3ea3
https://doi.org/10.1016/j.molstruc.2021.130639