Structure-Kinetics Relationships of Opioids from Metadynamics and Machine Learning

The nation’s opioid overdose deaths reached an all-time high in 2021. The majority of deaths are due to synthetic opioids represented by fentanyl. Naloxone, which is a FDA-approved reversal agent, antagonizes opioids through competitive binding at the μ-opioid receptor (mOR). Thus, knowledge of opio...

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Detalles Bibliográficos
Autores principales: Mahinthichaichan, Paween, Liu, Ruibin, Vo, Quynh N., Ellis, Christopher R., Stavitskaya, Lidiya, Shen, Jana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Cold Spring Harbor Laboratory 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10028827/
https://www.ncbi.nlm.nih.gov/pubmed/36945599
http://dx.doi.org/10.1101/2023.03.06.531338

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10028827/
https://www.ncbi.nlm.nih.gov/pubmed/36945599
http://dx.doi.org/10.1101/2023.03.06.531338

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