Zobrazeno 1 - 10
of 174
pro vyhledávání: '"P. Lagant"'
Publikováno v:
International Journal of Molecular Sciences, Vol 8, Iss 3, Pp 259-272 (2007)
The SPASIBA force field parameters have been obtained for Fe3+ /Fe2+ -Oxygeninteractions occuring between non-heminic iron and hydroxyl groups of polyphenols foundin tannins. These parameters were derived from normal modes analyses based on quantumch
Externí odkaz:
https://doaj.org/article/45bb52e7953048f6b58b8b34999e982f
Autor:
Marine Banse, David Lecchini, Justine Sabbe, Noémie Hanssen, Terry Donaldson, Guillaume Iwankow, Anthony Lagant, Eric Parmentier
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-7 (2024)
Abstract Examples of symbiotic relationships often include cleaning mutualisms, typically involving interactions between cleaner fish and other fish, called the clients. While these cleaners can cooperate by removing ectoparasites from their clients,
Externí odkaz:
https://doaj.org/article/9323b9e6096d4a4d98c4b56d48c61d92
Autor:
Marine Banse, David Lecchini, Justine Sabbe, Noémie Hanssen, Terry Donaldson, Guillaume Iwankow, Anthony Lagant, Eric Parmentier
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-1 (2024)
Externí odkaz:
https://doaj.org/article/5653bbf0faf04449b62832002655f0e9
Akademický článek
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Publikováno v:
International Journal of Molecular Sciences, Vol 8, Iss 2, Pp 103-115 (2007)
At room temperature, the m-Nitrophenol (m-NPH) appears in two polymorphicstructures: orthorhombic and monoclinic forms. In the present work, we shall focus on themonoclinic form of this compound which has a centrosymmetric structure with the spacegro
Externí odkaz:
https://doaj.org/article/62328834df5f43089eb392e7362c2350
Publikováno v:
International Journal of Molecular Sciences, Vol 7, Iss 8, Pp 255-265 (2006)
The crystal structure of RU60358, C20H21NO3, has been determined using X-raydiffraction to establish the configuration and stereochemistry of the molecule around theC15-C16 triple bond. The compound crystallises in the orthorhombic space group P21212
Externí odkaz:
https://doaj.org/article/37a1562d8eea4db7987a0ba4dbf39cf1
Akademický článek
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Publikováno v:
International Journal of Peptide and Protein Research. 24:543-552
A normal coordinate treatment was performed on the C7C5 conformation using a modified Urey-Bradley force field refined from previous studies on beta-turns. The predicted frequencies were compared with the experimental ones obtained on the peptide hor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2a3891890f45ad24d775497c23362eb
https://doi.org/10.1111/j.1399-3011.1984.tb03158.x
https://doi.org/10.1111/j.1399-3011.1984.tb03158.x
Publikováno v:
International Journal of Molecular Sciences, Vol 8, Iss 3, Pp 259-272 (2007)
International Journal of Molecular Sciences; Volume 8; Issue 3; Pages: 259-272
International Journal of Molecular Sciences
International Journal of Molecular Sciences; Volume 8; Issue 3; Pages: 259-272
International Journal of Molecular Sciences
The SPASIBA force field parameters have been obtained for Fe3+/Fe2+-Oxygen interactions occuring between non-heminic iron and hydroxyl groups of polyphenols found in tannins. These parameters were derived from normal modes analyses based on quantum c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::74f9ebf1014e93853ff1814b8a741441
https://doi.org/10.3390/i8030259
https://doi.org/10.3390/i8030259
Publikováno v:
The Journal of Physical Chemistry A. 108:4019-4029
In the present work, the SPASIBA spectroscopic force field has been introduced into the CHARMM program. The SPASIBA force field combines the van der Waals and electrostatic interactions as originally found into CHARMM with Urey−Bradley−Shimanouch
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ca806b3efe0a02c8558a4bf9664146a6
https://doi.org/10.1021/jp031178l
https://doi.org/10.1021/jp031178l