BiophysicsbioRxiv
Free energy and stacking of eumelaninnanoaggregates
S. Soltani, S. Sowlati-Hashjin, C. Tetsassi, M. Karttunen
This study investigates the structural properties of DHI eumelanin aggregates in aqueous solutions using molecular dynamics and DFT calculations, revealing non-covalent stacking and curved nanoscale domains.
DOI 10.1021/acs.jpcb.1c07884