Zobrazeno 1 - 10
of 23
pro vyhledávání: '"Marina Cotta-Ramusino"'
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 623:87-93
We investigated the binding mode of a set of dihydropyridine calcium channel antagonists to a synthetic Ca 2+ channel peptide with a force field computational procedure. Different conformers of each ligand were docked into the synthetic channel pepti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::346bfc8f52a54235c7ca606f63b9333d
https://doi.org/10.1016/s0166-1280(02)00672-3
https://doi.org/10.1016/s0166-1280(02)00672-3
Publikováno v:
Journal of Chemical Information and Computer Sciences. 43:248-254
A mathematically consistent definition of series was derived by the application of Principal Component Analysis to 3-D similarity indices (ASP Software). For two data sets of aromatic molecules, a mono-dimensional numerical ordering was derived, corr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e6dabd89d01c03cad9747a51c42a0f2e
https://doi.org/10.1021/ci020375z
https://doi.org/10.1021/ci020375z
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 469:143-149
The interaction between a dinucleotide triphosphate duplex (DD), mimicking the DNA molecule, and the dimethyltin(IV) cation is studied by the semiempirical PM3 method. The results show that the interaction can occur involving the tin atom and the ele
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d702b80930cd1bae1747ad744b288dd7
https://doi.org/10.1016/s0166-1280(98)00570-3
https://doi.org/10.1016/s0166-1280(98)00570-3
Publikováno v:
International Journal of Quantum Chemistry. 57:729-733
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8e5af57abfd658ed1068239151253be9
https://doi.org/10.1002/(sici)1097-461x(1996)57:4<729::aid-qua20>3.0.co
https://doi.org/10.1002/(sici)1097-461x(1996)57:4<729::aid-qua20>3.0.co
Publikováno v:
Journal of Molecular Structure. 350:43-47
The UV absorption spectra of domperidone, 2-(3 H )-benzimidazolone and 5-Cl-2-(3 H )-benzimidazolone in CH 3 CN have been studied both in the absence and in the presence of hard acids. A theoretical analysis of the electronic transitions of 2-(3 H )-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b0400f98d38b4a7fb46655e726eba552
https://doi.org/10.1016/0022-2860(94)08463-r
https://doi.org/10.1016/0022-2860(94)08463-r
Publikováno v:
Journal of Medicinal Chemistry. 38:629-635
Recently, statistical analysis of molecular similarity matrices has been applied to the quantitative structure-activity relationship (QSAR) analysis of a number of molecular series. This paper addresses a number of methodological issues relative to t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d145a2e8db5c12b800e288152e691e09
https://doi.org/10.1021/jm00004a009
https://doi.org/10.1021/jm00004a009
Autor:
Maurizio Cignitti, Marina Cotta-Ramusino, Laura Soccorsi, Maria Teresa Iela, Monica Bartolomei
Publikováno v:
Pesticide Science. 41:91-95
Solid-phase decomposition of benomyl has been investigated by thermogravimetric analysis; the degradation process (heating rate of 1 o C min -1 under nitrogen flux) starts at c. 65 o C. Semi-empirical quantum mechanical methods have been used to char
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ea810ba8425cf566b789e2b5ff205ec3
https://doi.org/10.1002/ps.2780410204
https://doi.org/10.1002/ps.2780410204
Autor:
Simona Pichini, Marina Cotta Ramusino
Publikováno v:
Carbohydrate Research. 259:13-19
The inclusion complexes of 2-, 3-, and 4-hydroxypyridines with β-cyclodextrin in aqueous solution have been studied by high field 1 H NMR. All complexes showed a 1:1 stoichiometry and the apparent association constants reflected the polarity of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2d80f9ce6c607e6b8736825dd53967c5
https://doi.org/10.1016/0008-6215(94)84193-4
https://doi.org/10.1016/0008-6215(94)84193-4
Autor:
Marina Cotta-Ramusino, Cristina Andreoli, Riccardo Crebelli, Romualdo Benigni, L. Conti, Angelo Carere, P. Tafani
Publikováno v:
Mutagenesis. 8:301-305
In a previous study, the relationships between the chemical structure and the ability of 35 chlorinated aliphatic hydrocarbons to induce aneuploidy and toxicity in Aspergillus nidulans were analyzed. Quantitative structure-activity relationships (QSA
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5230ec8c0cee0330932fee2081fb7098
https://doi.org/10.1093/mutage/8.4.301
https://doi.org/10.1093/mutage/8.4.301
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 259:265-272
The different tautomers and conformers of carbamic acid [1H-imidazol-2-yl-]methyl ester have been studied by the ab initio MO method at the HF level and the protonation energies of the most stable conformer of each tautomer have been calculated. Some
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::260fcfff998e30ce44e2edc551569e66
https://doi.org/10.1016/0166-1280(92)87018-u
https://doi.org/10.1016/0166-1280(92)87018-u