Quantitative prediction model for affinity of drug–target interactions based on molecular vibrations and overall system of ligand-receptor

BACKGROUND: The study of drug–target interactions (DTIs) affinity plays an important role in safety assessment and pharmacology. Currently, quantitative structure–activity relationship (QSAR) and molecular docking (MD) are most common methods in research of DTIs affinity. However, they often built f...

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Detalles Bibliográficos
Autores principales: Wang, Xian-rui, Cao, Ting-ting, Jia, Cong Min, Tian, Xue-mei, Wang, Yun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8515642/
https://www.ncbi.nlm.nih.gov/pubmed/34649499
http://dx.doi.org/10.1186/s12859-021-04389-w

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8515642/
https://www.ncbi.nlm.nih.gov/pubmed/34649499
http://dx.doi.org/10.1186/s12859-021-04389-w

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