화학공학소재연구정보센터
Journal of Chemical Physics, Vol.120, No.12, 5809-5823, 2004
Self-assembly of peptides into a beta-barrel motif
We report the results of a study of the self-assembly of four minimalist peptide strands with a native beta-barrel structure. Using a soft-well potential to mimic cellular crowding, molecular dynamics simulations were performed in confining spheres of varying radii. By utilizing a previously introduced scaling factor lambda for the non-native hydrophobic interactions (0