E-LIB Suche - Ergebnisse für: Rubio-Martínez, Jaime

1

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/..

2

Assessment of the bound conformation of bombesin to the BB1..:

Vila-Julià, Guillem ; Rubio-Martinez, Jaime ; Perez, Juan J.
International Journal of Biological Macromolecules. 255 (2024) - p. 127843 , 2024

Link: https://doi.org/10.1016/..

3

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/..

4

Autochthonous Peruvian Natural Plants as Potential SARS-CoV..:

Peralta-Moreno, Maria Nuria ; Anton-Muñoz, Vanessa ; Ortega-Alarcon, David...
Pharmaceuticals. 16 (2023) 4 - p. 585 , 2023

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

5

A Step Forward toward Selective Activation/Inhibition of Ba..:

Vila-Julià, Guillem ; Perez, Juan J. ; Rubio-Martinez, Jaime
Journal of Chemical Information and Modeling. 63 (2023) 11 - p. 3544-3556 , 2023

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

6

α4-α5 Helices on Surface of KRAS Can Accommodate Small Comp..:

Abuasaker, Baraa ; Garrido, Eduardo ; Vilaplana, Marta...
International Journal of Molecular Sciences. 24 (2023) 1 - p. 748 , 2023

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

7

Discovery of Hit Compounds Targeting the P4 Allosteric Site..:

Gomez-Gutierrez, Patricia ; Rubio-Martinez, Jaime ; Perez, Juan J.
Journal of Chemical Information and Modeling. 63 (2023) 20 - p. 6412-6422 , 2023

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

8

Effects of solvents on the conformational profile of Balara..:

Gomez-Gutierrez, Patricia ; Rubio-Martinez, Jaime ; Perez, Juan J.
Physical Chemistry Chemical Physics. 24 (2022) 45 - p. 27879-27892 , 2022

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

9

Molecular dynamics simulations of an α-synuclein NAC domain..:

Privat, Cristian ; Madurga, Sergio ; Mas, Francesc.
Physical Chemistry Chemical Physics. 24 (2022) 31 - p. 18841-18853 , 2022

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

10

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/..

11

Discovery of Diverse Natural Products as Inhibitors of SARS..:

Rubio-Martínez, Jaime ; Jiménez-Alesanco, Ana ; Ceballos-Laita, Laura...
Journal of Chemical Information and Modeling. 61 (2021) 12 - p. 6094-6106 , 2021

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

12

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/..

13

Unravelling Constant pH Molecular Dynamics in Oligopeptides..:

Privat, Cristian ; Madurga, Sergio ; Mas, Francesc.
Polymers. 13 (2021) 19 - p. 3311 , 2021

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

14

On the Use of the Discrete Constant pH Molecular Dynamics t..:

Privat, Cristian ; Madurga, Sergio ; Mas, Francesc.
Polymers. 13 (2020) 1 - p. 99 , 2020

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

15

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/..