Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Leonardo Barneschi"'
Autor:
Riccardo Palombo, Leonardo Barneschi, Laura Pedraza-González, Daniele Padula, Igor Schapiro, Massimo Olivucci
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-9 (2022)
Fluorescent proteins that self-assemble and localize in the neuron membrane are vital in neurosciences, particularly in optogenetics applications. Here the authors present a quantum-mechanics/molecular mechanics model for the photoisomerization of th
Externí odkaz:
https://doaj.org/article/5cab5006ee1845d488073dd0ad41392a
Autor:
Leonardo Barneschi, Emanuele Marsili, Laura Pedraza-González, Daniele Padula, Luca De Vico, Danil Kaliakin, Alejandro Blanco-González, Nicolas Ferré, Miquel Huix-Rotllant, Michael Filatov, Massimo Olivucci
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-9 (2022)
Arch-3 rhodopsin variants are common fluorescent reporters of neuronal activity. Here, the authors show with quantum chemical modelling that a set of these proteins reveals a direct proportionality between their observed fluorescence intensity and th
Externí odkaz:
https://doaj.org/article/8db7a882c81c4841b40e3170f489ada1
Autor:
Yuta Nakajima, Laura Pedraza-González, Leonardo Barneschi, Keiichi Inoue, Massimo Olivucci, Hideki Kandori
Publikováno v:
Communications Biology, Vol 4, Iss 1, Pp 1-15 (2021)
Nakajima, Pedraza-González et al. provide a comprehensive investigation of amino acid mutations at position 219 of the sodium pump rhodopsin, KR2, and their role in the color tuning of the retinal chromophore. They prepared P219X (X= A, C, D, E, F,
Externí odkaz:
https://doaj.org/article/67abff8fd4a744c1b2ba3f3c4c1967d9
Autor:
Laura Pedraza-González, Leonardo Barneschi, Michał Marszałek, Daniele Padula, Luca De Vico, Massimo Olivucci
Publikováno v:
Journal of Chemical Theory and Computation. 19:293-310
We present a computational protocol for the fast and automated screening of excited-state hybrid quantum mechanics/molecular mechanics (QM/MM) models of rhodopsins to be used as fluorescent probes based on the automatic rhodopsin modeling protocol (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d082e7e4de9237f7108bdab005afce3
https://doi.org/10.1021/acs.jctc.2c00928
https://doi.org/10.1021/acs.jctc.2c00928
Autor:
Laura Pedraza-González, Leonardo Barneschi, Michał Marszałek, Daniele Padula, Luca De Vico, Massimo Olivucci
Source code of the PyARM package
Access to the developer's repository can be obtained by contacting the corresponding author. L.P.G, L.B., D.P., L.D.V. and M.O. acknowledge partial support provided by MUR (Ministero dell'Università e della Rice
Access to the developer's repository can be obtained by contacting the corresponding author. L.P.G, L.B., D.P., L.D.V. and M.O. acknowledge partial support provided by MUR (Ministero dell'Università e della Rice
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd12c77a2a859d08395e3ef14ce73770
Publikováno v:
Topics in Current Chemistry Collections ISBN: 9783031076572
In recent years, photoactive proteins such as rhodopsins have become a common target for cutting-edge research in the field of optogenetics. Alongside wet-lab research, computational methods are also developing rapidly to provide the necessary tools
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::56f4272d2904a50757d697c94b1ca487
https://doi.org/10.1007/978-3-031-07658-9_5
https://doi.org/10.1007/978-3-031-07658-9_5
Autor:
Laura Milena Pedraza González, Leonardo Barneschi, Luca De Vico, MASSIMO OLIVUCCI, Daniele Padula
In recent years, photoactive proteins such as rhodopsins have become a common target for cutting-edge research in the field of optogenetics. Alongside wet-lab research, computational methods are also developing rapidly to provide the necessary tools
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e8713f91dbacfbb54e8a9770a0528773
https://hdl.handle.net/11365/1195223
https://hdl.handle.net/11365/1195223
Autor:
Laura Pedraza-González, Yuta Nakajima, Leonardo Barneschi, Hideki Kandori, Keiichi Inoue, Massimo Olivucci
Publikováno v:
Communications Biology
Communications Biology, Vol 4, Iss 1, Pp 1-15 (2021)
Communications Biology, Vol 4, Iss 1, Pp 1-15 (2021)
Color tuning in animal and microbial rhodopsins has attracted the interest of many researchers, as the color of their common retinal chromophores is modulated by the amino acid residues forming the chromophore cavity. Critical cavity amino acid resid
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::20ee981abc01c3596a6102cce4f2845b
https://doi.org/10.1038/s42003-021-02684-z
https://doi.org/10.1038/s42003-021-02684-z