De novo design of peptides that coassemble into β sheet–based nanofibrils
Xingqing Xiao, Yiming Wang, Dillon T. Seroski, Kong M. Wong, Renjie Liu, Anant K. Paravastu, Gregory A. Hudalla, Carol K. Hall
Abstract
candidates via the PepCAD algorithm and then subjected to DMD/PRIME20 simulations to examine their co-/self-association kinetics. The five pairs that spontaneously aggregate in kinetic simulations selectively coassemble in biophysical experiments, with four forming β-sheet nanofibers and one forming a stable nonfibrillar aggregate. Solid-state NMR, which is applied to characterize the coassembling pairs, suggests that the in silico peptides exhibit a higher degree of structural order than the previously reported CATCH(+/−) peptides.
Topics & Concepts
PeptideIn silicoNanofiberBiophysicsKineticsAggregate (composite)Beta sheetMaterials scienceNanotechnologyChemistryBiochemistryBiologyPhysicsGeneQuantum mechanicsSupramolecular Self-Assembly in MaterialsPolydiacetylene-based materials and applicationsAdvanced biosensing and bioanalysis techniques