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

Korlyukov, Alexander A; Stash, Adam I; Romanenko, Alexander R; Trzybinski, Damian; Wozniak, Krzysztof; Vologzhanina, Anna V

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

Korlyukov, Alexander A; Stash, Adam I; Romanenko, Alexander R; Trzybinski, Damian; Wozniak, Krzysztof; Vologzhanina, Anna V.

Afiliação

Korlyukov AA; A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 Vavilov St., Moscow 19334, Russia.
Stash AI; A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 Vavilov St., Moscow 19334, Russia.
Romanenko AR; A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 Vavilov St., Moscow 19334, Russia.
Trzybinski D; Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Zwirki i Wigury 101, 02-089 Warszawa, Poland.
Wozniak K; Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Zwirki i Wigury 101, 02-089 Warszawa, Poland.
Vologzhanina AV; A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 Vavilov St., Moscow 19334, Russia.

Biomedicines ; 11(3)2023 Mar 01.

Article em En | MEDLINE | ID: mdl-36979722

Palavras-chave

HIV therapy; Lamivudine; QM/MM calculations; active pharmaceutical ingredients; molecular Voronoi surface; non-covalent interactions; quantum theory 'Atoms in Molecules'

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Biomedicines Ano de publicação: 2023 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Biomedicines Ano de publicação: 2023 Tipo de documento: Article