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Ligand-Receptor Interactions of Lamivudine: A View from Charge Density Study and QM/MM Calculations

The nature and strength of interactions for an anti-HIV drug, Lamivudine, were studied in a pure crystal form of the drug and the ligand–receptor complexes. High-resolution single-crystal X-ray diffraction studies of the tetragonal polymorph allowed the drug’s experimental charge density distributio...

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Detalles Bibliográficos
Autores principales: Korlyukov, Alexander A., Stash, Adam. I., Romanenko, Alexander R., Trzybiński, Damian, Woźniak, Krzysztof, Vologzhanina, Anna V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10045540/
https://www.ncbi.nlm.nih.gov/pubmed/36979722
http://dx.doi.org/10.3390/biomedicines11030743