Structure–Kinetics Relationships of Opioids from Metadynamics and Machine Learning Analysis

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Mahinthichaichan, Paween, Liu, Ruibin, Vo, Quynh N., Ellis, Christopher R., Stavitskaya, Lidiya, Shen, Jana. 2023-03-28. Structure–Kinetics Relationships of Opioids from Metadynamics and Machine Learning Analysis. https://doi.org/10.1021/acs.jcim.3c00069

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