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Abstract | Cited by

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.

Graphical abstract: Diverging conformations guide dipeptide self-assembly into crystals or hydrogels

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