163 citations · 271 across the 14 of their papers we have counts for
4 papers · 1 filter
On modifying properties of polymeric melts by nanoscopic particles
Canan Atilgan, Ibrahim Inanc, Ali Rana Atilgan
We study geometric and energetic factors that partake in modifying properties of polymeric melts via inserting well-dispersed nanoscopic particles (NP). Model systems are polybutad…
Depth dependent dynamics in the hydration shell of a protein
J. Servantie, C. Atilgan, A. R. Atilgan
We study the dynamics of hydration water/protein association in folded proteins, using lysozyme and myoglobin as examples. Extensive molecular dynamics simulations are performed to…
How a Vicinal Layer of Solvent Modulates the Dynamics of Proteins
C. Atilgan, A. O. Aykut, A. R. Atilgan
The dynamics of a folded protein is studied in water and glycerol at a series of temperatures below and above their respective dynamical transition. The system is modeled in two di…
Screened non-bonded interactions in native proteins manipulate optimal paths for robust residue communication
Ali Rana Atilgan, Deniz Turgut, Canan Atilgan
A protein structure is represented as a network of residues whereby edges are determined by intra-molecular contacts. We introduce inhomogeneity into these networks by assigning ea…