BackBrowsing Artículos by Author "Cocinero, Emilio J."
Now showing items 1-7 of 7
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High conductance values in pi-folded molecular junctions
; ; ; Fernández González, José Andrés
; ; ; ; Mateo-Alonso, Aurelio (Nature Publishing, 2017-05-18)
Folding processes play a crucial role in the development of function in biomacromolecules. Recreating this feature on synthetic systems would not only allow understanding and reproducing biological functions but also ... -
Influence of the Anomeric Conformation in the Intermolecular Interactions of Glucose
; ; ; ; ; Fernández González, José Andrés (ACS, 2017-02-24)
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Modeling the tyrosine–sugar interactions in supersonic expansions: glucopyranose–phenol clusters
; ; ; ; ; Fernández González, José Andrés (RSC, 2016-03-14)
Sugars are fundamental building blocks for living organisms and their interaction with proteins plays a central role in fundamental biological processes, such as energy storage and production, post-transductional modifications ... -
The equilibrium molecular structures of 2-deoxyribose and fructose by the semiexperimental mixed estimation method and coupled-cluster computations
(Royal Society of Chemistry, 2016-06-21)Fructose and deoxyribose (24 and 19 atoms, respectively) are too large for determining accurate equilibrium structures, either by high-level ab initio methods or by experiments alone. We show in this work that the ... -
The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane
; Temelso, Berhane; ; Seifert, Nathan A.; Basterrechea Elguezabal, Francisco José; Prampolini, Giacomo; Shields, George C.; Pate, Brooks H.; Evangelisti, Luca; (Wiley, 2021-07-26)
The role of non-covalent interactions (NCIs) has broadened with the inclusion of new types of interactions and a plethora of weak donor/acceptor partners. This work illustrates the potential of chirped-pulse Fourier transform ... -
The SKA as a Prebiotic Molecule Detector
(Frontiers Media, 2022)[EN] One of the theories for the origin of life proposes that a significant fraction of prebiotic material could have arrived to Earth from outer space between 4.1 and 3.8 billion years ago. This suggests that those prebiotic ... -
Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition
; ; ; ; ; Fernández González, José Andrés; ; ; Jiménez Barbero, Jesús ; ; ; ; ; ; (ACS, 2018-07-13)
The tumor-associated carbohydrate Tn antigens include two variants, αGalNAc-O-Thr and αGalNAc-O-Ser. In solution, they exhibit dissimilar shapes and dynamics and bind differently to the same protein receptor. Here, we ...