163 citations · 271 across the 14 of their papers we have counts for
3 papers · 1 filter
Essential sub-networks based on contact strength reveal folding kinetics
Taisong Zou, Canan Atilgan, Ali Rana Atilgan +1
It has been observed that the topology of the native state is an important determinant of protein folding kinetics and there is a significant correlation between folding rate and r…
Nanosecond motions in proteins impose bounds on the timescale distributions of local dynamics
Osman Burak Okan, Ali Rana Atilgan, Canan Atilgan
We elucidate the physics of the dynamical transition via 10-100ns molecular dynamics simulations at temperatures spanning 160-300K. By tracking the energy fluctuations, we show tha…
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…