Zobrazeno 1 - 3
of 3
pro vyhledávání: '"MESH: Tetracyclines"'
Autor:
Planche, Christelle, Chevolleau, Sylvie, Noguer-Meireles, Maria-Hélèna, Jouanin, Isabelle, Mompelat, Sophie, ratel, jérémy, Verdon, Eric, Engel, Erwan, Debrauwer, Laurent
Publikováno v:
Molecules
Molecules, 2022, 27 (19), pp.6233. ⟨10.3390/molecules27196233⟩
Molecules, 2022, 27 (19), pp.6233. ⟨10.3390/molecules27196233⟩
International audience; Although antimicrobials are generally found in trace amounts in meat, the human health risk they bear cannot be ignored. With the ultimate aim of making a better assessment of consumer exposure, this study explored the effects
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______1398::5a3ae08004181fb8a968203fe16a6664
https://hal.science/hal-03795452/document
https://hal.science/hal-03795452/document
Publikováno v:
Journal of Molecular Recognition
Journal of Molecular Recognition, Wiley, 2010, 23 (2), pp.117-27. ⟨10.1002/jmr.980⟩
Journal of Molecular Recognition, Wiley, 2010, 23 (2), pp.117-27. ⟨10.1002/jmr.980⟩
International audience; Free energy simulations compare multiple ligand:receptor complexes by "alchemically" transforming one into another, yielding binding free energy differences. Since their introduction in the 1980s, many technical and theoretica
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b71a5358b6c270fd464cd86f6a8996f2
https://hal-polytechnique.archives-ouvertes.fr/hal-00488179
https://hal-polytechnique.archives-ouvertes.fr/hal-00488179
Autor:
Thomas Simonson, Alexey Aleksandrov
Publikováno v:
Journal of Computational Chemistry
Journal of Computational Chemistry, Wiley, 2009, 30 (2), pp.243-55. ⟨10.1002/jcc.21040⟩
Journal of Computational Chemistry, Wiley, 2009, 30 (2), pp.243-55. ⟨10.1002/jcc.21040⟩
Tetracyclines (Tcs) are an important family of antibiotics that bind to the ribosome and several proteins. To model Tc interactions with protein and RNA, we have developed a molecular mechanics force field for 12 tetracyclines, consistent with the CH