Modulation of intra- and inter-sheet interactions in short peptide self-assembly by acetonitrile in aqueous solution

Deng Li¹, Zhao Yurong¹, Zhou Peng¹, Xu Hai^{1, †,}, Wang Yanting^{2, 3, ‡,}

Time evolutions of the RMSD relative to the final structure (a) and the H-bond number (b) of the cross-β sheet in pure water.