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The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane
(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 ...
High conductance values in pi-folded molecular junctions
(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 ...
Modeling the tyrosine–sugar interactions in supersonic expansions: glucopyranose–phenol clusters
(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 ...
Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition
(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 ...