E-LIB Suche - Ergebnisse für: Pérez, Adrià

1

Machine learning coarse-grained potentials of protein therm..:

Majewski, Maciej ; Pérez, Adrià ; Thölke, Philipp...
Nature Communications. 14 (2023) 1 - p. , 2023

2

Binding-and-Folding Recognition of an Intrinsically Disorde..:

Herrera-Nieto, Pablo ; Pérez, Adrià ; De Fabritiis, Gianni
Journal of Chemical Theory and Computation. 19 (2023) 13 - p. 3817-3824 , 2023

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

3

Validation of the Alchemical Transfer Method for the Estima..:

Sabanés Zariquiey, Francesc ; Pérez, Adrià ; Majewski, Maciej..
Journal of Chemical Information and Modeling. 63 (2023) 8 - p. 2438-2444 , 2023

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

4

The Role of Hydrophobic Nodes in the Dynamics of Class A β-..:

Olehnovics, Edgar ; Yin, Junqi ; Pérez, Adrià...
Frontiers in Microbiology. 12 (2021) - p. , 2021

Link: https://doi.org/10.3389/..

5

TorchMD: A Deep Learning Framework for Molecular Simulation:

Doerr, Stefan ; Majewski, Maciej ; Pérez, Adrià...
Journal of Chemical Theory and Computation. 17 (2021) 4 - p. 2355-2363 , 2021

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

6

Author Correction: Characterization of partially ordered st..:

Herrera-Nieto, Pablo ; Pérez, Adrià ; De Fabritiis, Gianni
Scientific Reports. 10 (2020) 1 - p. , 2020

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

7

Coarse graining molecular dynamics with graph neural networ..:

Husic, Brooke E. ; Charron, Nicholas E. ; Lemm, Dominik...
The Journal of Chemical Physics. 153 (2020) 19 - p. , 2020

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

8

AdaptiveBandit: A Multi-armed Bandit Framework for Adaptive..:

Pérez, Adrià ; Herrera-Nieto, Pablo ; Doerr, Stefan.
Journal of Chemical Theory and Computation. 16 (2020) 7 - p. 4685-4693 , 2020

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

9

Small Molecule Modulation of Intrinsically Disordered Prote..:

Herrera-Nieto, Pablo ; Pérez, Adrià ; De Fabritiis, Gianni
Journal of Chemical Information and Modeling. 60 (2020) 10 - p. 5003-5010 , 2020

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

10

Synthesis, reactivity, X-ray characterization and docking s..:

Martínez, Daniel ; Pérez, Adriá ; Cañellas, Santiago...
Journal of Inorganic Biochemistry. 203 (2020) - p. 110879 , 2020

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

11

Characterization of partially ordered states in the intrins..:

Herrera-Nieto, Pablo ; Pérez, Adrià ; De Fabritiis, Gianni
Scientific Reports. 10 (2020) 1 - p. , 2020

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

12

Simulations meet machine learning in structural biology:

Pérez, Adrià ; Martínez-Rosell, Gerard ; De Fabritiis, Gianni
Current Opinion in Structural Biology. 49 (2018) - p. 139-144 , 2018

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

13

Systematic study of chromonic liquid crystal-based complex ..:

Pérez-Calm, Adrià ; Kolen'ko, Yury V. ; Salonen, Laura M....
Colloids and Surfaces A: Physicochemical and Engineering Aspects. 699 (2024) - p. 134723 , 2024

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

14

Electronic Voting: 8th International Joint Conference, E-Vo..

Lecture Notes in Computer Science, 14230

Volkamer, Melanie ; Duenas-Cid, David ; Rønne, Peter... - 1st ed. 2023 . , 2023

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

15

Perylene-Templated Hierarchically Porous Carbon Fibers as E..:

Perez-Calm, Adria ; Shrestha, Lok Kumar ; Magana, Jose Rodrigo...
Bulletin of the Chemical Society of Japan. 95 (2022) 12 - p. 1687-1696 , 2022

Link: https://doi.org/10.1246/..