Zobrazeno 1 - 10
of 104
pro vyhledávání: '"Rosa Di Felice"'
Publikováno v:
Communications Chemistry, Vol 7, Iss 1, Pp 1-11 (2024)
Abstract Electronic Energy Transfer (EET) between chromophores is fundamental in many natural light-harvesting complexes, serving as a critical step for solar energy funneling in photosynthetic plants and bacteria. The complicated role of the environ
Externí odkaz:
https://doaj.org/article/e53ed55756cb437eb937428d4315467c
Publikováno v:
Materials, Vol 14, Iss 17, p 4930 (2021)
To describe the molecular electronic structure of nucleic acid bases and other heterocycles, we employ the Linear Combination of Atomic Orbitals (LCAO) method, considering the molecular wave function as a linear combination of all valence orbitals, i
Externí odkaz:
https://doaj.org/article/89978b6a481742a79b6b29c245a312b3
Publikováno v:
PLoS ONE, Vol 8, Iss 9, p e74383 (2013)
Neuronal calcium sensor-1 (NCS-1) is a protein able to trigger signal transduction processes by binding a large number of substrates and re-shaping its structure depending on the environmental conditions. The X-ray crystal structure of the unmyristoi
Externí odkaz:
https://doaj.org/article/e7bda8b952ef4a9caea312e2b367d63b
Publikováno v:
Nanomaterials, Vol 6, Iss 10, p 184 (2016)
G-quadruplex is a quadruple helical form of nucleic acids that can appear in guanine-rich parts of the genome. The basic unit is the G-tetrad, a planar assembly of four guanines connected by eight hydrogen bonds. Its rich topology and its possible re
Externí odkaz:
https://doaj.org/article/dec634ac62e545859919ab39789ee45e
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(37)
The G-quadruplex is a fascinating nucleic acid motif with implications in biology, medicine, and nanotechnologies. G-quadruplexes can form in the telomeres at the edges of chromosomes and in other guanine-rich regions of the genome. They can also be
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8437c1319821f7cd7673928e1d134c30
https://pubmed.ncbi.nlm.nih.gov/36106845
https://pubmed.ncbi.nlm.nih.gov/36106845
Effects of Structural Dynamics on Charge Carrier Transfer in B-DNA: A Combined MD and RT-TDDFT Study
Publikováno v:
The journal of physical chemistry. B (1997 : Online) 125 (2021): 3986–4003. doi:10.1021/acs.jpcb.0c11489
info:cnr-pdr/source/autori:Mantela M.; Morphis A.; Lambropoulos K.; Simserides C.; Di Felice R./titolo:Effects of Structural Dynamics on Charge Carrier Transfer in B-DNA: A Combined MD and RT-TDDFT Study/doi:10.1021%2Facs.jpcb.0c11489/rivista:The journal of physical chemistry. B (1997 : Online)/anno:2021/pagina_da:3986/pagina_a:4003/intervallo_pagine:3986–4003/volume:125
info:cnr-pdr/source/autori:Mantela M.; Morphis A.; Lambropoulos K.; Simserides C.; Di Felice R./titolo:Effects of Structural Dynamics on Charge Carrier Transfer in B-DNA: A Combined MD and RT-TDDFT Study/doi:10.1021%2Facs.jpcb.0c11489/rivista:The journal of physical chemistry. B (1997 : Online)/anno:2021/pagina_da:3986/pagina_a:4003/intervallo_pagine:3986–4003/volume:125
Hole transfer along the axis of duplex DNA has been the focus of physical chemistry research for decades, with implications in diverse fields, from nanotechnology to cell oxidative damage. Computational approaches are particularly amenable for this p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d444b46eb63dc4b4ae113ac4be5b30fd
https://doi.org/10.1021/acs.jpcb.0c11489
https://doi.org/10.1021/acs.jpcb.0c11489
Publikováno v:
Nucleic Acids Research
Myocyte enhancer factor-2B (MEF2B) has the unique capability of binding to its DNA target sites with a degenerate motif, while still functioning as a gene-specific transcriptional regulator. Identifying its DNA targets is crucial given regulatory rol
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c31cb94631c51f632e02aa47e6c5415d
http://europepmc.org/articles/PMC7470950
http://europepmc.org/articles/PMC7470950
Publikováno v:
Materials
Materials, Vol 14, Iss 4930, p 4930 (2021)
Materials (Basel) 14 (2021): 4930-1–4930-20. doi:10.3390/ma14174930
info:cnr-pdr/source/autori:Mantela M.; Simserides C.; Di Felice R./titolo:Lcao electronic structure of nucleic acid bases and other heterocycles and transfer integrals in b-dna, including structural variability/doi:10.3390%2Fma14174930/rivista:Materials (Basel)/anno:2021/pagina_da:4930-1/pagina_a:4930-20/intervallo_pagine:4930-1–4930-20/volume:14
Materials; Volume 14; Issue 17; Pages: 4930
Materials, Vol 14, Iss 4930, p 4930 (2021)
Materials (Basel) 14 (2021): 4930-1–4930-20. doi:10.3390/ma14174930
info:cnr-pdr/source/autori:Mantela M.; Simserides C.; Di Felice R./titolo:Lcao electronic structure of nucleic acid bases and other heterocycles and transfer integrals in b-dna, including structural variability/doi:10.3390%2Fma14174930/rivista:Materials (Basel)/anno:2021/pagina_da:4930-1/pagina_a:4930-20/intervallo_pagine:4930-1–4930-20/volume:14
Materials; Volume 14; Issue 17; Pages: 4930
To describe the molecular electronic structure of nucleic acid bases and other heterocycles, we employ the Linear Combination of Atomic Orbitals (LCAO) method, considering the molecular wave function as a linear combination of all valence orbitals, i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::be95cb00e8badb80d41da74e7074e7aa
https://pubmed.ncbi.nlm.nih.gov/34501020
https://pubmed.ncbi.nlm.nih.gov/34501020
Autor:
Hannes Bernien, Alexander W. Holleitner, Stephan Haas, Justin R. Caram, Mikkel Hjordt Holm Larsen, Meenakshi Singh, Heather Lewandowski, Jen Palsberg, Jessica L. Rosenberg, Mark Saffman, R. S. Ross, James D. Whitfield, Michael F. J. Fox, Todd A. Brun, Jos Thijssen, Tina Brower, Karina Montilla Edmonds, Jeffrey H. Hunt, Benjamin M. Zwickl, Robert Joynt, Eric Chitambar, David W. Steuerman, Eric R. Hudson, A. Nick Vamivakas, Christopher J. K. Richardson, Chad Stark, Kristen L. Pudenz, David D. Awschalom, Kenneth R. Brown, Doug McClure, Scott Koziol, Clarice D. Aiello, Rosa Di Felice, Gina Passante
Interest in building dedicated Quantum Information Science and Engineering (QISE) education programs has greatly expanded in recent years. These programs are inherently convergent, complex, often resource intensive and likely require collaboration wi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f24129a538798418ab826be70423805
https://mediatum.ub.tum.de/1653675
https://mediatum.ub.tum.de/1653675
Quantum annealers have grown in complexity to the point that quantum computations involving few thousands of qubits are now possible. In this paper, \textcolor{black}{with the intentions to show the feasibility of quantum annealing to tackle problems
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1a99751822e5515d104979e9b363cd9c
http://arxiv.org/abs/2010.05803
http://arxiv.org/abs/2010.05803