title: Folding and stretching in a Go-like model of titin.
abstract: Mechanical stretching of the I27 domain of titin and of its double and triple repeats are studied through molecular dynamics simulations of a Go-like model with Lennard-Jones contact interactions. We provide a thorough characterization of the system and correlate the sequencing of the folding and unraveling events with each other and with the contact order. The roles of cantilever stiffness and pulling rate are studied. Unraveling of tandem titin structures has a serial nature. The force-displacement curves in this coarse-grained model are similar to those obtained through all atom calculations.
authors.affiliation: Department of Physics and Astronomy, The Johns Hopkins University, Baltimore, Maryland, USA. mc@ifpan.edu.pl
authors.forename: Marek
authors.initials: M
authors.lastname: Cieplak
authors.forename: Trinh Xuan
authors.initials: TX
authors.lastname: Hoang
authors.forename: Mark O
authors.initials: MO
authors.lastname: Robbins
mesh_terms: D000818:Animals; D003198:Computer Simulation; D064211:Connectin; D007700:Kinetics; D008958:Models, Molecular; D015394:Molecular Structure; D009124:Muscle Proteins / Q000737:chemistry*; D017510:Protein Folding; D011494:Protein Kinases / Q000737:chemistry*; D017434:Protein Structure, Tertiary; D013314:Stress, Mechanical; D013696:Temperature
chemical_list: D064211:Connectin; D009124:Muscle Proteins; D011494:Protein Kinases