E-LIB Suche - Ergebnisse für: Pérez-Benito, Laura

1

Structural basis for the oligomerization-facilitated NLRP3 ..:

Yu, Xiaodi ; Matico, Rosalie E. ; Miller, Robyn...
Nature Communications. 15 (2024) 1 - p. , 2024

2

Alchemical Free Energy Calculations on Membrane-Associated ..:

Papadourakis, Michail ; Sinenka, Hryhory ; Matricon, Pierre...
Journal of Chemical Theory and Computation. 19 (2023) 21 - p. 7437-7458 , 2023

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

3

Selective inhibitors of the PSEN1–gamma-secretase complex:

Serneels, Lutgarde ; Narlawar, Rajeshwar ; Perez-Benito, Laura...
Journal of Biological Chemistry. 299 (2023) 6 - p. 104794 , 2023

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

4

Broadening the Scope of Binding Free Energy Calculations Us..:

Baumann, Hannah M. ; Dybeck, Eric ; McClendon, Christopher L....
Journal of Chemical Theory and Computation. 19 (2023) 15 - p. 5058-5076 , 2023

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

5

Reduction of stress responses in honey bees by synthetic li..:

Sánchez-Morales, Adrià ; Gigoux, Véronique ; Matsoukas, Minos-Timotheos...
Scientific Reports. 12 (2022) 1 - p. , 2022

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

6

Accurate Prediction of GPCR Ligand Binding Affinity with Fr..:

Deflorian, Francesca ; Perez-Benito, Laura ; Lenselink, Eelke B...
Journal of Chemical Information and Modeling. 60 (2020) 11 - p. 5563-5579 , 2020

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

7

Large scale relative protein ligand binding affinities usin..:

Gapsys, Vytautas ; Pérez-Benito, Laura ; Aldeghi, Matteo...
Chemical Science. 11 (2020) 4 - p. 1140-1152 , 2020

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

8

Breaking the Glass Ceiling in Simulation and Modeling: Wome..:

Damm-Ganamet, Kelly L. ; DesJarlais, Renee L. ; Marrone, Tami...
Journal of Medicinal Chemistry. 63 (2020) 5 - p. 1929-1936 , 2020

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

9

Monte Carlo simulations using PELE to identify a protein–pr..:

Díaz, Lucía ; Soler, Daniel ; Tresadern, Gary...
RSC Advances. 10 (2020) 12 - p. 7058-7064 , 2020

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

10

Modeling the β-secretase cleavage site and humanizing amylo..:

Serneels, Lutgarde ; T'Syen, Dries ; Perez-Benito, Laura...
Molecular Neurodegeneration. 15 (2020) 1 - p. , 2020

Link: https://doi.org/10.1186/..

11

Mechanisms Underlying Allosteric Molecular Switches of Meta..:

Llinas del Torrent, Claudia ; Casajuana-Martin, Nil ; Pardo, Leonardo..
Journal of Chemical Information and Modeling. 59 (2019) 5 - p. 2456-2466 , 2019

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

12

Predicting Activity Cliffs with Free-Energy Perturbation:

Pérez-Benito, Laura ; Casajuana-Martin, Nil ; Jiménez-Rosés, Mireia..
Journal of Chemical Theory and Computation. 15 (2019) 3 - p. 1884-1895 , 2019

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

13

DeltaDelta neural networks for lead optimization of small m..:

Jiménez-Luna, José ; Pérez-Benito, Laura ; Martínez-Rosell, Gerard...
Chemical Science. 10 (2019) 47 - p. 10911-10918 , 2019

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

14

Computational Drug Design Applied to the Study of Metabotro..:

Llinas del Torrent, Claudia ; Pérez-Benito, Laura ; Tresadern, Gary
Molecules. 24 (2019) 6 - p. 1098 , 2019

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

15

The size matters? A computational tool to design bivalent l..:

Pérez-Benito, Laura ; Henry, Andrew ; Matsoukas, Minos-Timotheos...
Bioinformatics. 34 (2018) 22 - p. 3857-3863 , 2018

Link: https://doi.org/10.1093/..