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Laura Pedraza-González
Laura Pedraza-González
Assistant Professor of Physical Chemistry, University of Pisa
Verified email at unipi.it - Homepage
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Cited by
Year
Modern quantum chemistry with [Open] Molcas
F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ...
The Journal of chemical physics 152 (21), 2020
3272020
a-ARM: automatic rhodopsin modeling with chromophore cavity generation, ionization state selection, and external counterion placement
L Pedraza-González, L De Vico, MC Marı́n, F Fanelli, M Olivucci
Journal of chemical theory and computation 15 (5), 3134-3152, 2019
47*2019
Frontiers in multiscale modeling of photoreceptor proteins
MA Mroginski, S Adam, GS Amoyal, A Barnoy, AN Bondar, VA Borin, ...
Photochemistry and photobiology 97 (2), 243-269, 2021
272021
Covalent bonds in positron dihalides
F Moncada, L Pedraza-González, J Charry, MTN Varella, A Reyes
Chemical science 11 (1), 44-52, 2020
192020
Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin
R Palombo, L Barneschi, L Pedraza-González, D Padula, I Schapiro, ...
Nature Communications 13 (1), 6652, 2022
142022
Web-ARM: a web-based interface for the automatic construction of QM/MM models of rhodopsins
L Pedraza-González, MDC Marín, AN Jorge, TD Ruck, X Yang, ...
Journal of chemical information and modeling 60 (3), 1481-1493, 2020
142020
Prediction of proton affinities of organic molecules using the any-particle molecular-orbital second-order proton propagator approach
L Pedraza-González, J Romero, J Alí-Torres, A Reyes
Physical Chemistry Chemical Physics 18 (39), 27185-27189, 2016
132016
On the fluorescence enhancement of arch neuronal optogenetic reporters
L Barneschi, E Marsili, L Pedraza-González, D Padula, L De Vico, ...
Nature Communications 13 (1), 6432, 2022
122022
Multistate multiconfiguration quantum chemical computation of the two-photon absorption spectra of bovine rhodopsin
S Gholami, L Pedraza-González, X Yang, AA Granovsky, IN Ioffe, ...
The journal of physical chemistry letters 10 (20), 6293-6300, 2019
122019
Revisiting the Dielectric Constant Effect on the Nucleophile and Leaving Group of Prototypical Backside SN2 Reactions: A Reaction Force and Atomic Contribution …
L Pedraza-González, JF Galindo, R González, A Reyes
The Journal of Physical Chemistry A 120 (42), 8360-8368, 2016
102016
Evolution of the automatic rhodopsin modeling (ARM) protocol
LP González, L Barneschi, D Padula, LD Vico, M Olivucci
New Horizons in Computational Chemistry Software, 105-152, 2022
92022
Pro219 is an electrostatic color determinant in the light-driven sodium pump KR2
Y Nakajima, L Pedraza-González, L Barneschi, K Inoue, M Olivucci, ...
Communications Biology 4 (1), 1185, 2021
92021
How the pH controls photoprotection in the light-harvesting complex of mosses
L Pedraza-González, E Cignoni, J D’Ascenzi, L Cupellini, B Mennucci
Journal of the American Chemical Society 145 (13), 7482-7494, 2023
72023
The three-center two-positron bond
J Charry, F Moncada, M Barborini, L Pedraza-González, MTN Varella, ...
Chemical Science 13 (46), 13795-13802, 2022
52022
Fast and Accurate Prediction of Proton Affinities: Revisiting the Extended Koopmans' Theorem for Protons
L Pedraza-González, J Charry, WD Quintero, J Ali-Torres, A Reyes
Physical Chemistry Chemical Physics, 25324-25333, 2017
52017
On the automatic construction of QM/MM models for biological photoreceptors: rhodopsins as model systems
L Pedraza-González, MC Marín, L De Vico, X Yang, M Olivucci
QM/MM studies of light-responsive biological systems, 1-75, 2021
42021
On the physical interpretation of the nuclear molecular orbital energy
J Charry, L Pedraza-González, A Reyes
The Journal of Chemical Physics 146 (21), 2017
42017
Triterpene derivatives as potential inhibitors of the RBD spike protein from SARS-CoV-2: an in silico approach
M Avelar, L Pedraza-González, A Sinicropi, V Flores-Morales
Molecules 28 (5), 2333, 2023
32023
Automated QM/MM Screening of Rhodopsin Variants with Enhanced Fluorescence
L Pedraza-González, L Barneschi, M Marszałek, D Padula, L De Vico, ...
Journal of chemical theory and computation 19 (1), 293-310, 2022
32022
Picosecond Quantum-classical Dynamics reveals that the Coexistence of Light-induced Microbial and Animal Chromophore Rotary Motion Modulates the Isomerization Quantum Yield of …
R Palombo, L Barneschi, L Pedraza-González, X Yang, M Olivucci
Physical Chemistry Chemical Physics, 2024
2024
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