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

Giannos, Thomas; Lesnik, Samo; Bren, Urban; Hodoscek, Milan; Domratcheva, Tatiana; Bondar, Ana-Nicoleta

Giannos, Thomas; Lesnik, Samo; Bren, Urban; Hodoscek, Milan; Domratcheva, Tatiana; Bondar, Ana-Nicoleta.

Afiliação

Giannos T; Theoretical Molecular Biophysics Group, Department of Physics, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin, Germany.
Lesnik S; Laboratory of Physical Chemistry and Chemical Thermodynamics, Faculty of Chemistry and Chemical Engineering, University of Maribor, Smetanova 17, SI-2000 Maribor, Slovenia.
Bren U; Laboratory of Physical Chemistry and Chemical Thermodynamics, Faculty of Chemistry and Chemical Engineering, University of Maribor, Smetanova 17, SI-2000 Maribor, Slovenia.
Hodoscek M; Faculty of Mathematics, Natural Sciences and Information Technologies, University of Primorska, SI-6000 Koper, Slovenia.
Domratcheva T; Theory Department, National Institute of Chemistry Slovenia, Hajdrihova 19, SI-1001 Ljubljana, Slovenia.
Bondar AN; Department of Chemistry, Lomonosov Moscow State University, Moscow 119991, Russia.

J Chem Inf Model ; 61(8): 3964-3977, 2021 08 23.

Article em En | MEDLINE | ID: mdl-34351148

Assuntos

Morfina; Preparações Farmacêuticas; Analgésicos Opioides; Heroína; Receptores Opioides mu; Compostos de Espiro; Tiofenos

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Preparações Farmacêuticas / Morfina Idioma: En Ano de publicação: 2021 Tipo de documento: Article

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