CHARMM Force-Field Parameters for Morphine, Heroin, and Oliceridine, and Conformational Dynamics of Opioid Drugs

Thomas Giannos, Samo Lesnik, Urban Bren, Milan Hodoscek, Tatiana Domratcheva, Ana-Nicoleta Bondar. CHARMM Force-Field Parameters for Morphine, Heroin, and Oliceridine, and Conformational Dynamics of Opioid Drugs. Journal of Chemical Information and Computer Sciences, 61(8):3964-3977, 2021. [doi]

Authors

Thomas Giannos

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Samo Lesnik

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Urban Bren

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Milan Hodoscek

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Tatiana Domratcheva

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Ana-Nicoleta Bondar

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