417 citations · 925 across the 15 of their papers we have counts for
3 papers · 1 filter
Molecular Simulations of the Fluctuating Conformational Dynamics of Intrinsically Disordered Proteins
W. Wendell Smith, Carl F. Schreck, Nabeem Hashem +4
Intrinsically disordered proteins (IDPs) do not possess well-defined three-dimensional structures in solution under physiological conditions. We develop all-atom, united-atom, and…
Rods are less fragile than spheres: Structural relaxation in dense liquids composed of anisotropic particles
Tianqi Shen, Carl Schreck, Bulbul Chakraborty +2
We perform extensive molecular dynamics simulations of dense liquids composed of bidisperse dimer- and ellipse-shaped particles in 2D that interact via repulsive contact forces. We…
Constraints and vibrations in static packings of ellipsoidal particles
Carl F. Schreck, Mitch Mailman, Bulbul Chakraborty +1
We numerically investigate the mechanical properties of static packings of ellipsoidal particles in 2D and 3D over a range of aspect ratio and compression . While amorphous pac…