Zobrazeno 1 - 10
of 76
pro vyhledávání: '"Giuseppe Brancato"'
Chanalyzer: A Computational Geometry Approach for the Analysis of Protein Channel Shape and Dynamics
Autor:
Andrea Raffo, Luca Gagliardi, Ulderico Fugacci, Luca Sagresti, Simone Grandinetti, Giuseppe Brancato, Silvia Biasotti, Walter Rocchia
Publikováno v:
Frontiers in Molecular Biosciences, Vol 9 (2022)
Morphological analysis of protein channels is a key step for a thorough understanding of their biological function and mechanism. In this respect, molecular dynamics (MD) is a very powerful tool, enabling the description of relevant biological events
Externí odkaz:
https://doaj.org/article/8de13e92151640d6a04ebd5510e898de
Publikováno v:
Molecules, Vol 28, Iss 9, p 3834 (2023)
Dispersion-inclusive density functional theory (DFT) methods have unequivocally demonstrated improved performances with respect to standard DFT approximations for modeling large and extended molecular systems at the quantum mechanical level. Yet, in
Externí odkaz:
https://doaj.org/article/2cf0e679cbc844bf978918f003b7b9d9
Autor:
Katia Arena, Giuseppe Brancato, Francesco Cacciola, Francesco Crea, Salvatore Cataldo, Concetta De Stefano, Sofia Gama, Gabriele Lando, Demetrio Milea, Luigi Mondello, Alberto Pettignano, Winfried Plass, Silvio Sammartano
Publikováno v:
Biomolecules, Vol 10, Iss 6, p 930 (2020)
8-hydroxyquinoline-2-carboxylic acid (8-HQA) has been found in high concentrations (0.5–5.0 mmol·dm−3) in the gut of Noctuid larvae (and in a few other lepidopterans), in which it is proposed to act as a siderophore. Since it is known that many
Externí odkaz:
https://doaj.org/article/f0bffe8e763a4b41994e4b23fa56181f
Autor:
Balasubramanian Chandramouli, Danilo Di Maio, Giordano Mancini, Vincenzo Barone, Giuseppe Brancato
Publikováno v:
PLoS ONE, Vol 10, Iss 3, p e0120196 (2015)
The mechanosensitive channel of large conductance (MscL) is a protein that responds to membrane tension by opening a transient pore during osmotic downshock. Due to its large pore size and functional reconstitution into lipid membranes, MscL has been
Externí odkaz:
https://doaj.org/article/96427c102a574ce4a1d5d43d02cdfe9b
Publikováno v:
PLoS ONE, Vol 10, Iss 10, p e0140258 (2015)
Pentameric ligand gated ion channels (pLGICs) are ionotropic receptors that mediate fast intercellular communications at synaptic level and include either cation selective (e.g., nAChR and 5-HT3) or anion selective (e.g., GlyR, GABAA and GluCl) membr
Externí odkaz:
https://doaj.org/article/ed944f2797754fcabc7bc84ae7b6221d
Publikováno v:
Physical Chemistry Chemical Physics. 23:25170-25179
Photoresponsive azobenzene-modified DNA (RNA) has become a very fruitful material for nanotechnology due to the capability of switching on and off hybridization (i.e., duplex formation) in smart nanostructures. This nanomaterial exploits the well-kno
Publikováno v:
Journal of chemical theory and computation. 18(5)
Ion microsolvation is a basic, yet fundamental, process of ionic solutions underlying many relevant phenomena in either biological or nanotechnological applications, such as solvent reorganization energy, ion transport, catalytic activity, and so on.
Publikováno v:
Angewandte Chemie. 132:21410-21415
Autor:
Gianluca Del Frate, Marina Macchiagodena, Muhammad Jan Akhunzada, Francesca D’Autilia, Andrea Catte, Nicholus Bhattacharjee, Vincenzo Barone, Francesco Cardarelli, Giuseppe Brancato
Publikováno v:
The Journal of Physical Chemistry. B
An integrated theoretical/experimental strategy has been applied to the study of environmental effects on the spectroscopic parameters of 4-(diphenylamino)phtalonitrile (DPAP), a fluorescent molecular rotor. The computational part starts from the dev
Autor:
Alfonso Ferretti, Sourab Sinha, Luca Sagresti, Esteban Araya-Hermosilla, Mirko Prato, Virgilio Mattoli, Andrea Pucci, Giuseppe Brancato
For large-scale graphene applications, such as the production of polymer-graphene nanocomposites, exfoliated graphene oxide (GO) and its reduced form (rGO) are presently considered to be very suitable starting materials, showing enhanced chemical rea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ebab50bac8c5e68f3c91963717714e1b
https://hdl.handle.net/11384/113526
https://hdl.handle.net/11384/113526