Aromatic Rings Commonly Used in Medicinal Chemistry: Force Fields Comparison and Interactions With Water Toward the Design of New Chemical Entities

The identification of lead compounds usually includes a step of chemical diversity generation. Its rationale may be supported by both qualitative (SAR) and quantitative (QSAR) approaches, offering models of the putative ligand-receptor interactions. In both scenarios, our understanding of which inte...

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Detalles Bibliográficos
Autores principales: Polêto, Marcelo D., Rusu, Victor H., Grisci, Bruno I., Dorn, Marcio, Lins, Roberto D., Verli, Hugo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2018
Materias:
Pharmacology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5928326/
https://www.ncbi.nlm.nih.gov/pubmed/29740321
http://dx.doi.org/10.3389/fphar.2018.00395

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5928326/
https://www.ncbi.nlm.nih.gov/pubmed/29740321
http://dx.doi.org/10.3389/fphar.2018.00395

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