Application of Various Molecular Modelling Methods in the Study of Estrogens and Xenoestrogens.

Mazurek, Anna Helena; Szeleszczuk, Lukasz; Simonson, Thomas; Pisklak, Dariusz Maciej

Mazurek, Anna Helena; Szeleszczuk, Lukasz; Simonson, Thomas; Pisklak, Dariusz Maciej.

Afiliação

Mazurek AH; Chair and Department of Physical Pharmacy and Bioanalysis, Department of Physical Chemistry, Medical Faculty of Pharmacy, University of Warsaw, Banacha 1 str., 02-093 Warsaw Poland.
Szeleszczuk L; Chair and Department of Physical Pharmacy and Bioanalysis, Department of Physical Chemistry, Medical Faculty of Pharmacy, University of Warsaw, Banacha 1 str., 02-093 Warsaw Poland.
Simonson T; Laboratoire de Biochimie (CNRS UMR7654), Ecole Polytechnique, 91-120 Palaiseau, France.
Pisklak DM; Chair and Department of Physical Pharmacy and Bioanalysis, Department of Physical Chemistry, Medical Faculty of Pharmacy, University of Warsaw, Banacha 1 str., 02-093 Warsaw Poland.

Int J Mol Sci ; 21(17)2020 Sep 03.

Article em En | MEDLINE | ID: mdl-32899216

Assuntos

Estrogênios/química; Estrogênios/metabolismo; Modelos Moleculares; Xenobióticos/química; Xenobióticos/metabolismo; Animais; Humanos; Relação Quantitativa Estrutura-Atividade

Palavras-chave

Density Functional Theory (DFT); docking; estradiol; estrogens; molecular modelling; xenoestrogens

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Xenobióticos / Modelos Moleculares / Estrogênios Tipo de estudo: Prognostic_studies Limite: Animals / Humans Idioma: En Ano de publicação: 2020 Tipo de documento: Article

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