478 citations · 3.8k across the 55 of their papers we have counts for
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Thermal effects in stretching of Go-like models of titin and secondary structures
Marek Cieplak, Trinh Xuan Hoang, Mark O. Robbins
The effect of temperature on mechanical unfolding of proteins is studied using a Go-like model with a realistic contact map and Lennard-Jones contact interactions. The behavior of…
Stretching of Proteins in the Entropic Limit
Marek Cieplak, Trinh Xuan Hoang, Mark O. Robbins
Mechanical stretching of six proteins is studied through molecular dynamics simulations. The model is Go-like, with Lennard-Jones interactions at native contacts. Low temperature u…
Mapping molecular models to continuum theories for partially miscible fluids
Colin Denniston, Mark O. Robbins
We map molecular dynamics simulations of fluid-fluid interfaces onto mesoscale continuum theories for partially miscible fluids. Unlike most previous work, we examine not only the…
Shear yielding of amorphous glassy solids: Effect of temperature and strain rate
Joerg Rottler, Mark O. Robbins
We study shear yielding and steady state flow of glassy materials with molecular dynamics simulations of two standard models: amorphous polymers and bidisperse Lennard-Jones glasse…
Growth, microstructure, and failure of crazes in glassy polymers
Joerg Rottler, Mark O. Robbins
We report on an extensive study of craze formation in glassy polymers. Molecular dynamics simulations of a coarse-grained bead-spring model were employed to investigate the molecul…