Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Cheng Giuseppe Chen"'
Publikováno v:
Molecules, Vol 27, Iss 23, p 8135 (2022)
In this paper, we introduce specific approximations to simplify the vibronic treatment in modeling absorption and emission spectra, allowing us to include a huge number of vibronic transitions in the calculations. Implementation of such a simplified
Externí odkaz:
https://doaj.org/article/470d90d24b6045b895562fded6cbffa0
Publikováno v:
Molecules, Vol 27, Iss 3, p 1077 (2022)
The estimation of the redox potentials of biologically relevant systems by means of theoretical-computational approaches still represents a challenge. In fact, the size of these systems typically does not allow a full quantum-mechanical treatment nee
Externí odkaz:
https://doaj.org/article/341dbad130794b50a6bba4d2e24489ee
Autor:
Linda Celeste Montemiglio, Elena Gugole, Ida Freda, Cécile Exertier, Lucia D’Auria, Cheng Giuseppe Chen, Alessandro Nicola Nardi, Gabriele Cerutti, Giacomo Parisi, Marco D’Abramo, Carmelinda Savino, Beatrice Vallone
Publikováno v:
Biomolecules, Vol 12, Iss 1, p 55 (2021)
Substrate binding to the cytochrome P450 OleP is coupled to a large open-to-closed transition that remodels the active site, minimizing its exposure to the external solvent. When the aglycone substrate binds, a small empty cavity is formed between th
Externí odkaz:
https://doaj.org/article/014bc032eab746b1a328dd4a15cdb350
Publikováno v:
Journal of Chemical Theory and Computation. 19:33-41
Quantum mechanical/molecular mechanics (QM/MM) methods are important tools in molecular modeling as they are able to couple an extended phase space sampling with an accurate description of the electronic properties of the system. Here, we describe a
Autor:
Andrea Santilli, Andrea Lapi, Jacopo Cautela, Marco D'Abramo, Cheng Giuseppe Chen, Alessandra Del Giudice, Simona Sennato, Domagoj Belić, Victor Hugo Soto Tellini, Karin Schillén, Maria Chiara di Gregorio, Luciano Galantini
Publikováno v:
Journal of colloid and interface science (Online) 623 (2022): 723–734. doi:10.1016/j.jcis.2022.05.025
info:cnr-pdr/source/autori:Santilli A.; Lapi A.; Cautela J.; D'Abramo M.; Giuseppe Chen C.; Del Giudice A.; Sennato S.; Belic D.; Hugo Soto Tellini V.; Schillen K.; di Gregorio M.C.; Galantini L./titolo:Bioderived, chiral and stable 1-dimensional light-responsive nanostructures: Interconversion between tubules and twisted ribbons/doi:10.1016%2Fj.jcis.2022.05.025/rivista:Journal of colloid and interface science (Online)/anno:2022/pagina_da:723/pagina_a:734/intervallo_pagine:723–734/volume:623
info:cnr-pdr/source/autori:Santilli A.; Lapi A.; Cautela J.; D'Abramo M.; Giuseppe Chen C.; Del Giudice A.; Sennato S.; Belic D.; Hugo Soto Tellini V.; Schillen K.; di Gregorio M.C.; Galantini L./titolo:Bioderived, chiral and stable 1-dimensional light-responsive nanostructures: Interconversion between tubules and twisted ribbons/doi:10.1016%2Fj.jcis.2022.05.025/rivista:Journal of colloid and interface science (Online)/anno:2022/pagina_da:723/pagina_a:734/intervallo_pagine:723–734/volume:623
Hypothesis: Self-assembling molecular structures responding to light stimulus are appealing for applications as sensing and drug delivery. Supramolecular nanotubes have a relevant potential in nanotechnology as they can be used to encapsulate differe
Publikováno v:
Physical Chemistry Chemical Physics. 24:12027-12035
The experimental absorption measurements in the interval 350-600 nm (Vis), molecular dynamics simulations, quantum-mechanics calculations and an advanced molecular treatment of simulation data are here combined to provide a complete picture of the ab
Autor:
Sergio Enrique Moya, Paolo di Gianvincenzo, Nattida Chotechuang, Chanchai Boonla, Marco D abramo, Cheng Giuseppe Chen, Alessandro Nardi, Maria Grazia Ortore, Daniel Padró
No Abstract
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::28226a9226da0e8712c1275084fbb583
https://zenodo.org/record/7913094
https://zenodo.org/record/7913094
Publikováno v:
Molecules; Volume 27; Issue 23; Pages: 8135
In this paper, we introduce specific approximations to simplify the vibronic treatment in modeling absorption and emission spectra, allowing us to include a huge number of vibronic transitions in the calculations. Implementation of such a simplified
Autor:
Natalie Solfrid Gjerde, Alessandro Nicola Nardi, Cheng Giuseppe Chen, Paolo Di Gianvincenzo, Marco D’Abramo, Anita Scipioni, Luciano Galantini, Sergio E. Moya, Mauro Giustini
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(42)
Anthracycline doxorubicin hydrochloride (DX) is a positively charged fluorescent drug, which in water self-associates into non-fluorescent antiparallel dimers upon increasing concentration and/or ionic strength. The positive charge of DX allows for c