Zobrazeno 1 - 10
of 82
pro vyhledávání: '"Daniel Cabrol"'
Publikováno v:
Comptes Rendus Chimie. 12:905-910
Human Odorant Binding Protein (OBPIIa) has a strong affinity for odorants belonging to the family of aldehydes. After having built the initial structures based on the protein sequence, we have performed molecular dynamics simulations on human OBP, fr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5a3e3a08a90ff3a00e7dbea3d3f5cff8
https://doi.org/10.1016/j.crci.2008.09.022
https://doi.org/10.1016/j.crci.2008.09.022
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 763:155-159
DFT investigations of the acid-catalysed oxidation of linear and cyclic epoxides by DMSO revealed that a first step of nucleophilic ring-opening is followed by two different reaction pathways: on one hand α-hydroxycarbonyl derivatives are formed, vi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::96895c997d507dae90ebb0f572d5f593
https://doi.org/10.1016/j.theochem.2006.01.029
https://doi.org/10.1016/j.theochem.2006.01.029
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 763:165-174
The dynamic behaviour analysis of porcine OBP, free of ligand, and complexed with 2-isobutyl-3-methoxypyrazine and 2,6-dimethyl-7-octen-2-ol has been performed by means of molecular dynamics simulations. The simulations reveal that the OBP cavity, wh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ed3682031fdd5da84610694a3c4e13f0
https://doi.org/10.1016/j.theochem.2006.01.013
https://doi.org/10.1016/j.theochem.2006.01.013
Autor:
Marie-Claude Clément, Júlio Sancho Linhares Teixeira Militão, Daniel Cabrol-Bass, Christophe B.Y. Cordella, Patrick Drajnudel
Publikováno v:
Analytica Chimica Acta
Analytica Chimica Acta, Elsevier Masson, 2005, 531 (2), pp.239-248. ⟨10.1016/j.aca.2004.10.018⟩
Analytica Chimica Acta, Elsevier Masson, 2005, 531 (2), pp.239-248. ⟨10.1016/j.aca.2004.10.018⟩
Honey adulteration is a complex problem which currently has a significant economic impact and undeniable nutritional and organoleptic consequences. This paper describes the development of an effective anionic chromatographic method (HPAEC-PAD) for ho
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38d44f192ec940add826d5056b0996ef
https://doi.org/10.1016/j.aca.2004.10.018
https://doi.org/10.1016/j.aca.2004.10.018
Publikováno v:
Angewandte Chemie. 116:6570-6573
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f297a7d9a721affbb081b1e912b2593b
https://doi.org/10.1002/ange.200462322
https://doi.org/10.1002/ange.200462322
Autor:
Serge Antonczak, Daniel Cabrol-Bass, Roger Condom, Juan Fernandez-Carmona, Jérôme Golebiowski
Publikováno v:
Journal of Molecular Modeling. 10:408-417
Nanosecond molecular dynamics using the Ewald summation method have been performed to elucidate the structural and energetic role of the closing base pair in loop-loop RNA duplexes neutralized by Mg2+ counterions in aqueous phases. Mismatches GA, CU
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cf1ba6c7e1de60a7b2938387116c8a6e
https://doi.org/10.1007/s00894-004-0216-7
https://doi.org/10.1007/s00894-004-0216-7
Publikováno v:
Journal of Molecular Modeling. 10:60-68
The dynamic behavior of the HCV IRES IIId domain is analyzed by means of a 2.6-ns molecular dynamics simulation, starting from an NMR structure. The simulation is carried out in explicit water with Na+ counterions, and particle-mesh Ewald summation i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ae6ec55e982390fa1a5af0a3d84b70a
https://doi.org/10.1007/s00894-003-0170-9
https://doi.org/10.1007/s00894-003-0170-9
Autor:
Daniel Cabrol-Bass, Michel Rouillard, Marcelo J. P. Ferreira, Vicente de Paulo Emerenciano, Júlio S.L.T. Militão
Publikováno v:
Chemometrics and Intelligent Laboratory Systems. 67:5-20
A new approach for 13C chemical shift prediction using 3D descriptors is described. The stereochemical environment of each carbon atom of a data set of steroids with assigned chemical shifts was encoded and atoms of similar environment were grouped i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::091c426aca888cc8f9c64199eafdf1ff
https://doi.org/10.1016/s0169-7439(03)00057-1
https://doi.org/10.1016/s0169-7439(03)00057-1
Autor:
Daniel Cabrol-Bass, Marie-Claude Clément, Christophe B.Y. Cordella, Júlio Sancho Linhares Teixeira Militão
Publikováno v:
Journal of Agricultural and Food Chemistry
Journal of Agricultural and Food Chemistry, American Chemical Society, 2003, 51 (11), pp.3234-3242. ⟨10.1021/jf021100m⟩
Journal of Agricultural and Food Chemistry, American Chemical Society, 2003, 51 (11), pp.3234-3242. ⟨10.1021/jf021100m⟩
International audience; An improved COFRAC (COmité FRançais d'ACréditation) method for the analysis and evaluation of the quality of honey by high-performance anion-exchange chromatography of sugar profiles is proposed. With this method, both mino
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c6b03ae415261958c9628ac5bb4bb041
https://doi.org/10.1021/jf021100m
https://doi.org/10.1021/jf021100m
Publikováno v:
Chem. Educ. Res. Pract.. 4:77-82
Multimedia courseware packages are considerably enhanced by the inclusion of moving images and animations. The cost of making such images is, however, very high. Rather than each group or country making its own images, i.e. re-inventing the same wh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::beb6a0b916ed732a6ce68938b6d720b3
https://doi.org/10.1039/b2rp90039d
https://doi.org/10.1039/b2rp90039d