Zobrazeno 1 - 10
of 26
pro vyhledávání: '"Serena Donnini"'
Autor:
Giulio Spinozzi, Valentina Tini, Alessio Ferrari, Ilaria Gionfriddo, Roberta Ranieri, Francesca Milano, Sara Pierangeli, Serena Donnini, Federica Mezzasoma, Serenella Silvestri, Brunangelo Falini, Maria Paola Martelli
Publikováno v:
Biomolecules, Vol 12, Iss 7, p 904 (2022)
The administration of combinations of drugs is a method widely used in the treatment of different pathologies as it can lead to an increase in the therapeutic effect and a reduction in the dose compared to the administration of single drugs. For thes
Externí odkaz:
https://doaj.org/article/395c7133502f40cea2996ed6a40ae5d5
Autor:
Donal MacKernan, David L. Cheung, Vladimir Lobaskin, Zeynab Mohammad Hosseini Naveh, Serena Donnini, E. Allen Foegeding, Muhammad Gulzar, Paolo Carloni, Fernando Luís Barroso da Silva, Ravi Radhakrishnan, Grazia Cottone, Jean-Christophe Jacquier, Erik E. Santiso
Publikováno v:
Annual Review of Food Science and Technology
Annu Rev Food Sci Technol
Annu Rev Food Sci Technol
The structure and interactions of proteins play a critical role in determining the quality attributes of many foods, beverages, and pharmaceutical products. Incorporating a multiscale understanding of the structure–function relationships of protein
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d78c831e47099343321d0b053ad3cca7
https://doi.org/10.1146/annurev-food-032519-051640
https://doi.org/10.1146/annurev-food-032519-051640
Autor:
Roberta Ranieri, Martin Neuenschwander, Sabrina Kleissle, Federica Mezzasoma, Serenella Silvestri, Alessio Ferrari, Sara Pierangeli, Serena Donnini, Francesca Milano, Marcella Sabino, Valentina Tini, Giulio Spinozzi, Brunangelo Falini, Jens Peter von Kries, Ilaria Gionfriddo, Maria Paola Martelli
Publikováno v:
Clinical Lymphoma Myeloma and Leukemia. 22:S242
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a970c2a096b9ca43c19a6788e02995e9
https://doi.org/10.1016/s2152-2650(22)01279-4
https://doi.org/10.1016/s2152-2650(22)01279-4
Autor:
Roberta Ranieri, Martin Neuenschwander, Sabrina Kleissle, Federica Mezzasoma, Serenella Silvestri, Alessio Ferrari, Sara Pierangeli, Serena Donnini, Francesca Milano, Marcella Sabino, Valentina Tini, Giulio Spinozzi, Brunangelo Falini, Jens Peter von Kries, Ilaria Gionfriddo, Maria Paola Martelli
Publikováno v:
Clinical Lymphoma Myeloma and Leukemia. 22:S134
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1ba82e1b05d8ef365f55a719cdb263ec
https://doi.org/10.1016/s2152-2650(22)00808-4
https://doi.org/10.1016/s2152-2650(22)00808-4
Publikováno v:
The Journal of Physical Chemistry. B
The tetrapyrrole chromophore biliverdin IXα (BV) in the bacteriophytochrome from Deinococcus radiodurans (DrBphP) is usually assumed to be fully protonated, but this assumption has not been systematically validated by experiments or extensive comput
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8fa6e459445317377a1241b88f55b831
https://doi.org/10.1021/acs.jpcb.9b01117
https://doi.org/10.1021/acs.jpcb.9b01117
Autor:
Serena Donnini, Tilman Kottke, Brigitte Stucki-Buchli, Lea Schroeder, Heli Lehtivuori, Oskar Berntsson, Linnéa Isaksson, Heikki Häkkänen, Elina Kalenius, Vaibhav Modi, Christian Thöing, Alli Liukkonen, Sebastian Westenhoff, Janne A. Ihalainen, Emil Gustavsson
Publikováno v:
Journal of the American Chemical Society
Phytochrome proteins regulate many photoresponses of plants and microorganisms. Light absorption causes isomerization of the biliverdin chromophore, which triggers a series of structural changes to activate the signaling domains of the protein. Howev
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::313895113b316d2a7751ea7367a91914
http://juuli.fi/Record/0332385818
http://juuli.fi/Record/0332385818
Publikováno v:
Journal of Chemical Theory and Computation
Correct protonation of titratable groups in biomolecules is crucial for their accurate description by molecular dynamics simulations. In the context of constant pH simulations, an additional protonation degree of freedom is introduced for each titrat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e64875b43addc74e5d5dffd3e9847b1f
https://doi.org/10.1021/acs.jctc.6b00807
https://doi.org/10.1021/acs.jctc.6b00807
Publikováno v:
Journal of Chemical Theory and Computation
In constant pH molecular dynamics simulations, the protonation states of titratable sites can respond to changes of the pH and of their electrostatic environment. Consequently, the number of protons bound to the biomolecule, and therefore the overall
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::16d0e3e4c50723e3c0fe3907924c8eff
https://doi.org/10.1021/acs.jctc.5b01160
https://doi.org/10.1021/acs.jctc.5b01160
Autor:
Jaakko Koivisto, Tanja Lahtinen, Hannu Häkkinen, Gerrit Groenhof, Serena Donnini, Xi Chen, Mika Pettersson
Publikováno v:
Journal of Physical Chemistry C. 120(18):10041-10050
The pKa of the p-mercaptobenzoic acid (pMBA) ligands in the Au102(pMBA)44 nanocluster was measured by using acid–base and IR titration. The observed macroscopic pKa = 6.18 ± 0.05 is significantly more basic than that of free pMBA (pKa = 4.16), and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3a0ed3273a15079fe9c8f39d10397334
https://doi.org/10.1021/acs.jpcc.6b00922
https://doi.org/10.1021/acs.jpcc.6b00922
Publikováno v:
Journal of Chemical Theory and Computation. 7:1962-1978
pH is an important parameter in condensed-phase systems, because it determines the protonation state of titratable groups and thus influences the structure, dynamics, and function of molecules in solution. In most force field simulation protocols, ho
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2e41b43858df5d6107337aa4924f53f9
https://doi.org/10.1021/ct200061r
https://doi.org/10.1021/ct200061r