E-LIB Suche - Ergebnisse für: Pedraza-González, Laura

1

Picosecond quantum-classical dynamics reveals that the coex..:

Palombo, Riccardo ; Barneschi, Leonardo ; Pedraza-González, Laura..
Physical Chemistry Chemical Physics. 26 (2024) 13 - p. 10343-10356 , 2024

Link: https://doi.org/10.1039/..

2

How the pH Controls Photoprotection in the Light-Harvesting..:

Pedraza-González, Laura ; Cignoni, Edoardo ; D'Ascenzi, Jacopo..
Journal of the American Chemical Society. 145 (2023) 13 - p. 7482-7494 , 2023

Link: https://doi.org/10.1021/..

3

Triterpene Derivatives as Potential Inhibitors of the RBD S..:

Avelar, Mayra ; Pedraza-González, Laura ; Sinicropi, Adalgisa.
Molecules. 28 (2023) 5 - p. 2333 , 2023

Link: https://doi.org/10.3390/..

4

Ultrafast excited-state dynamics of Luteins in the major li..:

Pedraza-González, Laura ; Accomasso, Davide ; Cupellini, Lorenzo..
Photochemical & Photobiological Sciences. 23 (2023) 2 - p. 303-314 , 2023

Link: https://doi.org/10.1007/..

5

The three-center two-positron bond:

Charry, Jorge ; Moncada, Félix ; Barborini, Matteo...
Chemical Science. 13 (2022) 46 - p. 13795-13802 , 2022

Link: https://doi.org/10.1039/..

6

Evolution of the Automatic Rhodopsin Modeling (ARM) Protoco:

Pedraza-González, Laura ; Barneschi, Leonardo ; Padula, Daniele..
Topics in Current Chemistry. 380 (2022) 3 - p. , 2022

Link: https://doi.org/10.1007/..

7

Retinal chromophore charge delocalization and confinement e..:

Palombo, Riccardo ; Barneschi, Leonardo ; Pedraza-González, Laura...
Nature Communications. 13 (2022) 1 - p. , 2022

Link: https://doi.org/10.1038/..

8

Automated QM/MM Screening of Rhodopsin Variants with Enhanc..:

Pedraza-González, Laura ; Barneschi, Leonardo ; Marszałek, Michał...
Journal of Chemical Theory and Computation. 19 (2022) 1 - p. 293-310 , 2022

Link: https://doi.org/10.1021/..

9

On the fluorescence enhancement of arch neuronal optogeneti..:

Barneschi, Leonardo ; Marsili, Emanuele ; Pedraza-González, Laura...
Nature Communications. 13 (2022) 1 - p. , 2022

Link: https://doi.org/10.1038/..

10

Pro219 is an electrostatic color determinant in the light-d..:

Nakajima, Yuta ; Pedraza-González, Laura ; Barneschi, Leonardo...
Communications Biology. 4 (2021) 1 - p. , 2021

Link: https://doi.org/10.1038/..

11

Web-ARM: A Web-Based Interface for the Automatic Constructi..:

Pedraza-González, Laura ; Marín, María Del Carmen ; Jorge, Alejandro N....
Journal of Chemical Information and Modeling. 60 (2020) 3 - p. 1481-1493 , 2020

Link: https://doi.org/10.1021/..

12

Covalent bonds in positron dihalides:

Moncada, Félix ; Pedraza-González, Laura ; Charry, Jorge..
Chemical Science. 11 (2020) 1 - p. 44-52 , 2020

Link: https://doi.org/10.1039/..

13

On the Automatic Construction of QM/MM Models for Biologica..:

, In: Challenges and Advances in Computational Chemistry and Physics; QM/MM Studies of Light-responsive Biological Systems,

Pedraza-González, Laura ; Marín, María del Carmen ; De Vico, Luca.. - p. 1-75 , 2020

Link: https://doi.org/10.1007/..

14

Modern quantum chemistry with [Open]Molcas:

Aquilante, Francesco ; Autschbach, Jochen ; Baiardi, Alberto...
The Journal of Chemical Physics. 152 (2020) 21 - p. , 2020

Link: https://doi.org/10.1063/..

15

Multistate Multiconfiguration Quantum Chemical Computation ..:

Gholami, Samira ; Pedraza-González, Laura ; Yang, Xuchun...
The Journal of Physical Chemistry Letters. 10 (2019) 20 - p. 6293-6300 , 2019

Link: https://doi.org/10.1021/..