Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Georges-Alexandre Guérin"'
Autor:
Jean-Marie Launay, Georges-Alexandre Guérin, Sylvan Loric, Jaturong Pratuangdejkul, Philippe Manivet, Wichit Nosoongnoen, Marc Conti
Publikováno v:
Chemical Physics Letters. 420:538-544
In the present work we used quantum mechanics calculations to predict the two pKa’s of 5-hydrotryptamine (5-HT). Proton dissociation reaction succeeded to predict the experimental pKa1 corresponding to ionization of the protonated amine group but f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a38680cc5ec786154df14817b9a31878
https://doi.org/10.1016/j.cplett.2006.01.035
https://doi.org/10.1016/j.cplett.2006.01.035
Autor:
Monica Alemany, Jaturong Pratuangdejkul, Georges-Alexandre Guérin, Philippe Manivet, Jean-Marie Launay
Publikováno v:
Drug discovery today. 11(21-22)
The geometric description of pharmacophores suffers from approximations. No consensus has been clearly established, despite the increasing interest in using pharmacophores in drug design and in patent applications. We therefore propose an original de
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::96a4c44e6d5521dcaf56d86390fbd1f0
https://pubmed.ncbi.nlm.nih.gov/17055408
https://pubmed.ncbi.nlm.nih.gov/17055408
Autor:
Jean-Marie Launay, Marc Conti, Sylvain Loric, Claire Ducrocq, Wichit Nosoongnoen, Georges-Alexandre Guérin, Pascale Jaudon, Philippe Manivet, Jaturong Pratuangdejkul
Publikováno v:
Journal of Chemical Theory and Computation
Journal of Chemical Theory and Computation, American Chemical Society, 2006, 2(3), pp.746-760. ⟨10.1021/ct0600316⟩
Journal of Chemical Theory and Computation, American Chemical Society, 2006, 2(3), pp.746-760. ⟨10.1021/ct0600316⟩
An adiabatic conformational analysis of serotonin (5-hydroxytryptamine, 5-HT) using quantum chemistry led to six stable conformers that can be either +gauche (Gp), -gauche (Gm), and anti (At) depending upon the value taken by ethylamine side chain an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::85d268c2aec9a342c155f2449a016ccd
https://hal.archives-ouvertes.fr/hal-00078506
https://hal.archives-ouvertes.fr/hal-00078506
