Zobrazeno 1 - 10
of 209
pro vyhledávání: '"Alberte Pullman"'
Autor:
Alberte Pullman
Publikováno v:
Bulletin des Sociétés Chimiques Belges. 85:963-968
L'etat actuel de l'approche supermoleculaire microscopique utilisee pour l'etude de l'hydratation des constituants des molecules biologiques fondamentales et de leur interaction avec les cations alcalins et alcalino-terreux, est brievement resume.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b6d68128fa6b1cc30f75dbad44834905
https://doi.org/10.1002/bscb.19760851206
https://doi.org/10.1002/bscb.19760851206
Autor:
Bernard Pullman, Alberte Pullman
Publikováno v:
International Journal of Quantum Chemistry. 18:245-259
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b72fd4f3fdf0a86195ecf86536ad755a
https://doi.org/10.1002/qua.560180724
https://doi.org/10.1002/qua.560180724
Autor:
Alberte Pullman, Nohad Gresh
Publikováno v:
International Journal of Quantum Chemistry. 24:215-229
A theoretical study based on the X-ray coordinates has been performed to compare the stability of the Ca2+ and Mg2+ complexes of ionophore A23187. The calculations show that the presence of the water molecule which is observed in the crystal of the C
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e72f1c5b5e22babf4dc6f8859c41539e
https://doi.org/10.1002/qua.560240723
https://doi.org/10.1002/qua.560240723
Molecular electrostatic potential of the b-dna helix. VII. effect of screening by monovalent cations
Publikováno v:
International Journal of Quantum Chemistry. 18:323-330
The influence on the molecular electrostatic potential of a B-DNA double helix of the screening of its phosphates by sodium and methylammonium cations is described. The effects of these two counterions are compared with respect to changes in the glob
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f479f188cd328807a46f52be577247ee
https://doi.org/10.1002/qua.560180731
https://doi.org/10.1002/qua.560180731
Publikováno v:
International Journal of Quantum Chemistry. 16:353-363
The overlap multipole expansion procedure is ptilized for the evaluation of the electrostatic molecular potential of poly(dC·dC) and poly(dA·dT). lt is shown that the two sequences of base pairs produce different effects in the significant regions
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1bf6a19897c93b0226bf3b60b24c5225
https://doi.org/10.1002/qua.560160723
https://doi.org/10.1002/qua.560160723
Autor:
Alberte Pullman
Publikováno v:
International Journal of Quantum Chemistry. 2:187-205
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::81245b8e4e8362b9b73a5b549b28fcf9
https://doi.org/10.1002/qua.560020719
https://doi.org/10.1002/qua.560020719
Publikováno v:
International Journal of Quantum Chemistry. 10:59-76
SCF ab initio computations of water-cation interactions are reported for Li+, Na+, K+, Mg++, Ca++, and NH4+ in view of exploring the utilizability (if any) of relatively small basis sets in this area. Starting with an STO 3G standard set on both the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::904c08c93a96767bb71a816d9fe18a9a
https://doi.org/10.1002/qua.560100806
https://doi.org/10.1002/qua.560100806
Autor:
Alberte Pullman
Publikováno v:
International Journal of Quantum Chemistry. 8:33-42
It is shown that the relative intrinsic affinities of the amide and ester carbonyl groups are larger for Na+ than for K+ (like the affinity of water), that the affinity of the amide for the two cations is larger than that of the ester, that the prefe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d04eb40ee686897ab25ae77f3288e8c1
https://doi.org/10.1002/qua.560080707
https://doi.org/10.1002/qua.560080707
Publikováno v:
International Journal of Quantum Chemistry. 16:243-253
An additive systematics for the rapid computation of intermolecular interactions has been worked out. The interaction energy is computed as a sum of four components. The electrostatic component is obtained by using the overlap multipole expansion of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::33095fa36895d39073426b71d1fde92b
https://doi.org/10.1002/qua.560160826
https://doi.org/10.1002/qua.560160826
Publikováno v:
ResearcherID
Recent experimental evidence has pointed to “bay-region” diol epoxides as possible proximate metabolites for a range of polycyclic aromatic hydrocarbons that form adducts with the bases of cellular nucleic acids. The authors present a theoretical
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7e9464e2e3a678d0dea48389e5c940ce
https://doi.org/10.1002/qua.560140707
https://doi.org/10.1002/qua.560140707