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Granadino-Roldán, José M.
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1

The Discovery of inhibitors of the SARS-CoV-2 S protein thr..:

Avilés-Alía, Ana Isabel ; Zulaica, Joao ; Perez, Juan J....
Computers in Biology and Medicine.  171 (2024)  - p. 108163 , 2024
Link: https://doi.org/10.1016/..
 
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2

Shedding Light on Dark Chemical Matter: The Discovery of a ..:

Peralta-Moreno, Maria Nuria ; Mena, Yago ; Ortega-Alarcon, David...
International Journal of Molecular Sciences.  25 (2024)  11 - p. 6119 , 2024
Link: https://doi.org/10.3390/..
 
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3

Shedding light on the binding mechanism of kinase inhibitor..:

Fernández-Sainz, Jesús ; Pacheco-Liñán, Pedro J. ; Granadino-Roldán, José M....
Journal of Photochemistry and Photobiology B: Biology.  232 (2022)  - p. 112477 , 2022
Link: https://doi.org/10.1016/..
 
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4

Triphenylamine- and triazine-containing hydrogen bonded com..:

Feringán, Beatriz ; Termine, Roberto ; Golemme, Attilio...
Journal of Materials Chemistry C.  9 (2021)  6 - p. 1972-1982 , 2021
Link: https://doi.org/10.1039/..
 
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5

Fragment dissolved molecular dynamics: a systematic and eff..:

Privat, Cristian ; Granadino-Roldán, José M. ; Bonet, Jordi...
Physical Chemistry Chemical Physics.  23 (2021)  4 - p. 3123-3134 , 2021
Link: https://doi.org/10.1039/..
 
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6

Molecular Determinants for the Activation/Inhibition of Bak..:

Vila-Julià, Guillem ; Granadino-Roldán, José M. ; Perez, Juan J..
Journal of Chemical Information and Modeling.  60 (2020)  3 - p. 1632-1643 , 2020
Link: https://doi.org/10.1021/..
 
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7

Crosstalk between hydroxytyrosol, a major olive oil phenol,..:

Calahorra, Jesús ; Martínez-Lara, Esther ; Granadino-Roldán, José M....
Scientific Reports.  10 (2020)  1 - p. , 2020
Link: https://doi.org/10.1038/..
 
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8

Effect of set up protocols on the accuracy of alchemical fr..:

Granadino-Roldán, José M. ; Mey, Antonia S. J. S. ; Pérez González, Juan J....
PLOS ONE.  14 (2019)  3 - p. e0213217 , 2019
Link: https://doi.org/10.1371/..
 
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9

Binding of the anticancer drug BI-2536 to human serum album..:

Fernández-Sainz, Jesús ; Pacheco-Liñán, Pedro J. ; Granadino-Roldán, José M....
Journal of Photochemistry and Photobiology B: Biology.  172 (2017)  - p. 77-87 , 2017
Link: https://doi.org/10.1016/..
 
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10

DFT study of the effect of fluorine atoms on the crystal st..:

Moral, Mónica ; García, Gregorio ; Garzón, Andrés..
The Journal of Chemical Physics.  144 (2016)  15 - p. , 2016
Link: https://doi.org/10.1063/..
 
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11

A DFT study on the mechanism and kinetics of reactions of p..:

Guardia, Juan J. ; Moral, Mónica ; Granadino-Roldán, José M..
Computational and Theoretical Chemistry.  1077 (2016)  - p. 113-118 , 2016
Link: https://doi.org/10.1016/..
 
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12

Effect of five-membered ring and heteroatom substitution on..:

Navarro, Amparo ; Fernández-Liencres, M. Paz ; Peña-Ruiz, Tomás...
The Journal of Chemical Physics.  145 (2016)  5 - p. , 2016
Link: https://doi.org/10.1063/..
 
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13

A DFT approach to the charge transport related properties i..:

Navarro, Amparo ; Fernández-Liencres, M. Paz ; García, Gregorio..
Physical Chemistry Chemical Physics.  17 (2015)  1 - p. 605-618 , 2015
Link: https://doi.org/10.1039/..
 
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14

DFT Study of the Ambipolar Character of Polymers on the Bas..:

Moral, Mónica ; Garzón, Andrés ; García, Gregorio..
The Journal of Physical Chemistry C.  119 (2015)  9 - p. 4588-4599 , 2015
Link: https://doi.org/10.1021/..
 
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15

Bis(arylene-ethynylene)-s-tetrazines: A Promising Family of..:

Moral, Mónica ; Garzón, Andrés ; Olivier, Yoann...
The Journal of Physical Chemistry C.  119 (2015)  33 - p. 18945-18955 , 2015
Link: https://doi.org/10.1021/..
 
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