Modulation of intra- and inter-sheet interactions in short peptide self-assembly by acetonitrile in aqueous solution
Deng Li1, Zhao Yurong1, Zhou Peng1, Xu Hai1, †, 
, Wang Yanting2, 3, ‡,
, Wang Yanting2, 3, ‡, RDFs between different groups of solvent and peptide monomer. (a) RDFs between water and peptide molecules in pure water. (b) RDFs between water and peptide molecules in the ACN/water mixture. (c) RDFs between ACN and peptide molecules in pure ACN. (d) RDFs between ACN and peptide molecules in the ACN/water mixture. OW represents the oxygen atom of water, CT the methyl carbon of ACN, NZ the nitrogen of ACN, CG2 the side chain carbon of isoleucine, N the backbone nitrogen of isoleucine, and O the backbone oxygen of isoleucine. All of these atoms have been labeled in Fig.
