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Design, molecular docking analysis of an anti-inflammatory drug, computational analysis and intermolecular interactions energy studies of 1-benzothiophene-2-carboxylic acid

In this paper, theoretical study on molecular geometry, vibrational, pharmaceutical and electronic properties of the monomeric and dimeric structures of 1-benzothiophene-2-carboxylic acid (2BT) were carried out using B3LYP hybrid functional with 6-311++G(d,p) as basis set. The structural study show...

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Detalles Bibliográficos
Autores principales:	Sagaama, Abir, Issaoui, Noureddine
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier Ltd. 2020
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7384430/ https://www.ncbi.nlm.nih.gov/pubmed/32739798 http://dx.doi.org/10.1016/j.compbiolchem.2020.107348

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