title: Twisting transition between crystalline and fibrillar phases of aggregated peptides.
abstract: We study two distinctly ordered condensed phases of polypeptide molecules, amyloid fibrils and amyloidlike microcrystals, and the first-order twisting phase transition between these two states. We derive a single free-energy form which connects both phases. Our model identifies relevant degrees of freedom for describing the collective behavior of supramolecular polypeptide structures, reproduces accurately the results from molecular dynamics simulations as well as from experiments, and sheds light on the uniform nature of the dimensions of different peptide fibrils.
authors.affiliation: Department of Chemistry, University of Cambridge, Cambridge, United Kingdom.
authors.forename: Tuomas P J
authors.initials: TP
authors.lastname: Knowles
authors.forename: Alfonso
authors.initials: A
authors.lastname: De Simone
authors.forename: Anthony W
authors.initials: AW
authors.lastname: Fitzpatrick
authors.forename: Andrew
authors.initials: A
authors.lastname: Baldwin
authors.forename: Sarah
authors.initials: S
authors.lastname: Meehan
authors.forename: Luke
authors.initials: L
authors.lastname: Rajah
authors.forename: Michele
authors.initials: M
authors.lastname: Vendruscolo
authors.forename: Mark E
authors.initials: ME
authors.lastname: Welland
authors.forename: Christopher M
authors.initials: CM
authors.lastname: Dobson
authors.forename: Eugene M
authors.initials: EM
authors.lastname: Terentjev
mesh_terms: D000682:Amyloid / Q000737:chemistry; D003460:Crystallization; D018625:Microscopy, Atomic Force; D008958:Models, Molecular; D056004:Molecular Dynamics Simulation; D019906:Nuclear Magnetic Resonance, Biomolecular; D010455:Peptides / Q000737:chemistry*; D044367:Phase Transition; D011487:Protein Conformation; D013816:Thermodynamics
chemical_list: D000682:Amyloid; D010455:Peptides