478 citations · 3.8k across the 55 of their papers we have counts for
5 papers · 1 filter
Folding and Stretching in a Go-like Model of Titin
Marek Cieplak, Trinh Xuan Hoang, Mark O. Robbins
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 conta…
Thermal Folding and Mechanical Unfolding Pathways of Protein Secondary Structures
Marek Cieplak, Trinh Xuan Hoang, Mark O. Robbins
Mechanical stretching of secondary structures is studied through molecular dynamics simulations of a Go-like model. Force vs. displacement curves are studied as a function of the s…
Cracks and Crazes: On calculating the macroscopic fracture energy of glassy polymers from molecular simulations
Jörg Rottler, Sandra Barsky, Mark O. Robbins
We combine molecular dynamics simulations of deformations at the submicron scale with a continuum fracture mechanics calculation for the onset of crack propagation to predict the m…
Bulk and Interfacial Shear Thinning of Immiscible Polymers
Sandra Barsky, Mark O. Robbins
Nonequilibrium molecular dynamics simulations are used to study the shear thinning behavior of immiscible symmetric polymer blends. The phase separated polymers are subjected to a…
Simulations of the Static Friction Due to Adsorbed Molecules
Gang He, Mark O. Robbins
The static friction between crystalline surfaces separated by a molecularly thin layer of adsorbed molecules is calculated using molecular dynamics simulations. These molecules nat…