The prediction of dipeptide assembly into crystals or gels is challenging. This work reveals the diverging conformational landscape that guides self-organization towards different outcomes. In silico and experimental data enabled deciphering of the electronic circular dichroism (ECD) spectra of self-assembling dipeptides to reveal folded or extended conformers as key players.
Diverging conformations guide dipeptide self-assembly into crystals or hydrogels / Monti, M; Scarel, E; Hassanali, A; Stener, M; Marchesan, S. - In: CHEMICAL COMMUNICATIONS. - ISSN 1359-7345. - 59/2023:73(2023), pp. 10948-10951. [10.1039/d3cc02682e]
Diverging conformations guide dipeptide self-assembly into crystals or hydrogels
Scarel, E;Stener, M
;Marchesan, S
2023-01-01
Abstract
The prediction of dipeptide assembly into crystals or gels is challenging. This work reveals the diverging conformational landscape that guides self-organization towards different outcomes. In silico and experimental data enabled deciphering of the electronic circular dichroism (ECD) spectra of self-assembling dipeptides to reveal folded or extended conformers as key players.| File | Dimensione | Formato | |
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