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Nogueira, Juan J.
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1

Voltage‐Gated Ion Channels: Structure, Pharmacology and Pho..:

Palmisano, Vito F. ; Anguita‐Ortiz, Nuria ; Faraji, Shirin.
ChemPhysChem.  , 2024
Link: https://doi.org/10.1002/..
 
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2

Modeling One-Electron Oxidation Potentials and Hole Delocal..:

Lucia-Tamudo, Jesús ; Díaz-Tendero, Sergio ; Nogueira, Juan J.
Journal of Chemical Information and Modeling.  64 (2024)  12 - p. 4802-4810 , 2024
Link: https://doi.org/10.1021/..
 
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3

Membrane Permeation of Psychedelic Tryptamines by Dynamic S..:

Palmisano, Vito F. ; Agnorelli, Claudio ; Fagiolini, Andrea...
Biochemistry.  , 2024
Link: https://doi.org/10.1021/..
 
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4

Charge Transfer Mechanism in Guanine-Based Self-Assembled M..:

Lucia-Tamudo, Jesús ; Nogueira, Juan J. ; Díaz-Tendero, Sergio
Langmuir.  40 (2024)  29 - p. 15129-15139 , 2024
Link: https://doi.org/10.1021/..
 
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5

Effect of stacking interactions on charge transfer states i..:

Palmisano, Vito F. ; Faraji, Shirin ; Nogueira, Juan J.
Physical Chemistry Chemical Physics.  25 (2023)  12 - p. 8331-8335 , 2023
Link: https://doi.org/10.1039/..
 
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6

Gateway-based Interoperability for Distributed Ledger Techn..:

Llambias, Guzman ; Bradach, Bruno ; Nogueira, Juan..
CLEI Electronic Journal.  26 (2023)  2 - p. , 2023
Link: https://doi.org/10.19153..
 
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7

In silico investigation of the photoisomerization mechanism..:

Arnanz, Julia ; Romeo-Gella, Fernando ; Nogueira, Juan J..
Dyes and Pigments.  219 (2023)  - p. 111555 , 2023
Link: https://doi.org/10.1016/..
 
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8

One-Electron Oxidation Potentials and Hole Delocalization i..:

Lucia-Tamudo, Jesús ; Alcamí, Manuel ; Díaz-Tendero, Sergio.
Biochemistry.  62 (2023)  22 - p. 3312-3322 , 2023
Link: https://doi.org/10.1021/..
 
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9

An Efficient Multilayer Approach to Model DNA-Based Nanobio..:

Lucia-Tamudo, Jesús ; Nogueira, Juan J. ; Díaz-Tendero, Sergio
The Journal of Physical Chemistry B.  127 (2023)  7 - p. 1513-1525 , 2023
Link: https://doi.org/10.1021/..
 
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10

Intramolecular and intermolecular hole delocalization rules..:

Lucia-Tamudo, Jesús ; Díaz-Tendero, Sergio ; Nogueira, Juan J.
Physical Chemistry Chemical Physics.  25 (2023)  20 - p. 14578-14589 , 2023
Link: https://doi.org/10.1039/..
 
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11

The protein environment restricts the intramolecular charge..:

Mateo-delaFuente, Henar ; Avagliano, Davide ; Garavelli, Marco.
Physical Chemistry Chemical Physics.  25 (2023)  24 - p. 16507-16519 , 2023
Link: https://doi.org/10.1039/..
 
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12

Automatic characterization of drug/amino acid interactions ..:

Ruano, Lorena ; Mandado, Marcos ; Nogueira, Juan J.
Theoretical Chemistry Accounts.  142 (2023)  6 - p. , 2023
Link: https://doi.org/10.1007/..
 
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13

Effect of the QM Size, Basis Set, and Polarization on QM/MM..:

Pérez-Barcia, Álvaro ; Cárdenas, Gustavo ; Nogueira, Juan J..
Journal of Chemical Information and Modeling.  63 (2023)  3 - p. 882-897 , 2023
Link: https://doi.org/10.1021/..
 
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14

Test volume mitigation for mobile devices software developm..:

, In: Proceedings of the 8th Brazilian Symposium on Systematic and Automated Software Testing,
Andrade, Paulo ; Marques, Kathrian ; Ribeiro, Luiz... - p. 1-4 , 2023
Link: https://dl.acm.org/doi/1..
 
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15

MoBioTools: A toolkit to setup quantum mechanics/molecular ..:

Cárdenas, Gustavo ; Lucia‐Tamudo, Jesús ; Mateo‐delaFuente, Henar...
Journal of Computational Chemistry.  44 (2022)  4 - p. 516-533 , 2022
Link: https://doi.org/10.1002/..
 
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