Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Elena Fraschini"'
Autor:
Anthony J. Stone, Elena Fraschini
Publikováno v:
Journal of Computational Chemistry. 19:847-857
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::45b087c04fd26b0cd91cfc9389543f47
https://doi.org/10.1002/(sici)1096-987x(199806)19:8<847::aid-jcc4>3.0.co
https://doi.org/10.1002/(sici)1096-987x(199806)19:8<847::aid-jcc4>3.0.co
Publikováno v:
The Journal of Physical Chemistry. 100:10564-10569
Molecular polarizability can be used to gain an insight into the origins of polychlorinated dibenzo-p-dioxins (PCDDs) specific binding to their receptor protein. In this work, the effects of the basis set on the polarizability values calculated at th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7807018eacfc85b3d9223d44793155a1
https://doi.org/10.1021/jp952888x
https://doi.org/10.1021/jp952888x
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 340:83-95
We have focused our attention on the electrostatic properties of a set of PCDDs, polychlorinated dibenzo-p-dioxins, of known binding affinities for the Ah receptor. In this paper we analyze the molecular electrostatic potential (MEP) of the six selec
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9729a0f67be5cf332c867370749b8ce9
https://doi.org/10.1016/0166-1280(95)04171-2
https://doi.org/10.1016/0166-1280(95)04171-2
Autor:
Ugo Cosentino, Elena Fraschini, Sergio Clementi, Laura Bonati, Roberto Todeschini, Demetrio Pitea, Giorgio Moro, Gabriele Cruciani, Murina Lasagni, Andrew M. Davis
Publikováno v:
Advanced Computer-Assisted Techniques in Drug Discovery, Second Edition
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::92c340fb3e2371c684fb05a0ce1a1784
https://doi.org/10.1002/9783527615674.ch2
https://doi.org/10.1002/9783527615674.ch2
Publikováno v:
AIP Conference Proceedings.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3c4e98771e06318a1c77f81659d52844
https://doi.org/10.1063/1.47833
https://doi.org/10.1063/1.47833
Publikováno v:
AIP Conference Proceedings.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::53ba44aa0785b9c3199a2bdc6809e218
https://doi.org/10.1063/1.47832
https://doi.org/10.1063/1.47832
The mechanism of action of polychlorinated dibenzo-p-dioxins (PCDDs) and related compounds has received extensive study but has not yet been completely elucidated. Most of the toxic responses and biological effects appear to be mediated by the bindin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d6a70fe4a1210cddc337e7c7cbf45404
http://hdl.handle.net/10281/34674
http://hdl.handle.net/10281/34674
