2 citations · 4 across the 7 of their papers we have counts for
3 papers · 1 filter
Sidechain Dynamics and Protein Folding
E. Kussell, J. Shimada, E. I. Shakhnovich
The processes by which protein sidechains reach equilibrium during a folding reaction are investigated using both lattice and all-atom simulations. We find that rates of sidechain…
Understanding hierarchical protein evolution from first principles
Nikolay V. Dokholyan, Eugene I. Shakhnovich
We propose a model that explains the hierarchical organization of proteins in fold families. The model, which is based on the evolutionary selection of proteins by their native sta…
Excluded Volume in Protein Sidechain Packing
Edo Kussell, Jun Shimada, Eugene I. Shakhnovich
To examine the relationship between sidechain geometry and sidechain packing, we use an all-atom Monte Carlo simulation to sample the large space of sidechain conformations. We stu…