Zobrazeno 1 - 10
of 113
pro vyhledávání: '"Federica Agostini"'
Autor:
Jason S L Yu, Benjamin M Heineike, Johannes Hartl, Simran K Aulakh, Clara Correia-Melo, Andrea Lehmann, Oliver Lemke, Federica Agostini, Cory T Lee, Vadim Demichev, Christoph B Messner, Michael Mülleder, Markus Ralser
Publikováno v:
PLoS Biology, Vol 20, Iss 12, p e3001912 (2022)
The assimilation, incorporation, and metabolism of sulfur is a fundamental process across all domains of life, yet how cells deal with varying sulfur availability is not well understood. We studied an unresolved conundrum of sulfur fixation in yeast,
Externí odkaz:
https://doaj.org/article/4bafcd4cc0e6402c9e4cfcf9d4e05d8c
Autor:
Federica Agostini, Ludwig Sinn, Daniel Petras, Christian J. Schipp, Vladimir Kubyshkin, Allison Ann Berger, Pieter C. Dorrestein, Juri Rappsilber, Nediljko Budisa, Beate Koksch
Publikováno v:
ACS Central Science, Vol 7, Iss 1, Pp 81-92 (2020)
Externí odkaz:
https://doaj.org/article/f25c840e9c8042a2ae6989f1c3079b99
Publikováno v:
Molecules, Vol 27, Iss 13, p 4002 (2022)
Modeling the dynamics of non-bound states in molecules requires an accurate description of how electronic motion affects nuclear motion and vice-versa. The exact factorization (XF) approach offers a unique perspective, in that it provides potentials
Externí odkaz:
https://doaj.org/article/8a3a09e0857a41a98f34f2c1964e8d50
Publikováno v:
Physical Review X, Vol 7, Iss 3, p 031035 (2017)
Describing the dynamics of nuclei in molecules requires a potential energy surface, which is traditionally provided by the Born-Oppenheimer or adiabatic approximation. However, we also need to assign masses to the nuclei. There, the Born-Oppenheimer
Externí odkaz:
https://doaj.org/article/2222fab922e4474dada644ab6fc0529d
Autor:
Federica Agostini, Carlos G Dotti, Azucena Pérez-Cañamás, Maria Dolores Ledesma, Federico Benetti, Giuseppe Legname
Publikováno v:
PLoS ONE, Vol 8, Iss 9, p e74244 (2013)
The cellular form of the prion protein (PrP(C)) is a normal constituent of neuronal cell membranes. The protein misfolding causes rare neurodegenerative disorders known as transmissible spongiform encephalopathies or prion diseases. These maladies ca
Externí odkaz:
https://doaj.org/article/35d01254509041a3ae63847d87179fec
In this paper, we report on the performance of various quantum molecu- lar dynamics simulation methods in describing the photo-induced nonadi- abatic dynamics underlying the isomerization process of the retinal chromophore in rhodopsin. We focus on p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::01d38bb9961dc22ce00309fa9383a67a
https://doi.org/10.26434/chemrxiv-2023-2kgfl
https://doi.org/10.26434/chemrxiv-2023-2kgfl
Autor:
Federica Agostini
Publikováno v:
LCF Studies in Commercial and Financial Law ISBN: 9783031141041
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c1da5b2f5afa87cca70d722412451100
https://doi.org/10.1007/978-3-031-14105-8_6
https://doi.org/10.1007/978-3-031-14105-8_6
Autor:
Jessica Bowles, Sascha Jähnigen, Rodolphe Vuilleumier, Florent Calvo, Carine Clavaguéra, Federica Agostini
The vibrational spectrum of the alanine amino acid was computationally determined in the infrared range of 1000–2000 cm−1, under various environments encompassing the gas, hydrated, and crystalline phases, by means of classical molecular dynamics
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::531e82f864479ab8eda833de41804bfb
https://doi.org/10.26434/chemrxiv-2022-v7wbx
https://doi.org/10.26434/chemrxiv-2022-v7wbx
Publikováno v:
Journal of Physical Chemistry A
Journal of Physical Chemistry A, American Chemical Society, 2021, 125 (28), pp.6075-6088. ⟨10.1021/acs.jpca.1c02923⟩
Journal of Physical Chemistry A, American Chemical Society, 2021, 125 (28), pp.6075-6088. ⟨10.1021/acs.jpca.1c02923⟩
International audience; We present a study of the O(3P) + C2H4 scattering reaction, a process that takes place in the interstellar medium and is of relevance in atmospheric chemistry as well. A comprehensive investigation of the electronic properties
Autor:
Lucien Dupuy, Francesco Talotta, Federica Agostini, David Lauvergnat, Bill Poirier, Yohann Scribano
We present a quantum dynamics method based on the propagation of interacting quan- tum trajectories to describe both adiabatic and nonadiabatic processes within the same formalism. The idea originates from the work of Poirier [Chem. Phys. 370 4–14
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af6fe3e58ff2ddd17ce03403f908ba95
https://doi.org/10.26434/chemrxiv-2022-5glzl
https://doi.org/10.26434/chemrxiv-2022-5glzl