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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2021
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| Materias: | |
| 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 |