326 citations · 3k across the 112 of their papers we have counts for
5 papers · 1 filter
Graph's Topology and Free Energy of a Spin Model on the Graph
Jeong-Mo Choi, Amy I. Gilson, Eugene I. Shakhnovich
In this work we show that there is a direct relationship between a graph's topology and the free energy of a spin system on the graph. We develop a method of separating topological…
Benchmarking inverse statistical approaches for protein structure and design with exactly solvable models
Hugo Jacquin, Amy Gilson, Eugene Shakhnovich +2
Inverse statistical approaches to determine protein structure and function from Multiple Sequence Alignments (MSA) are emerging as powerful tools in computational biology. However…
Structure-based prediction of protein-folding transition paths
William M. Jacobs, Eugene I. Shakhnovich
We propose a general theory to describe the distribution of protein-folding transition paths. We show that transition paths follow a predictable sequence of high-free-energy transi…
An internal disulfide locks a misfolded aggregation-prone intermediate in cataract-linked mutants of human γD-crystallin
Eugene Serebryany, Jaie C. Woodard, Bharat V. Adkar +3
Considerable mechanistic insight has been gained into amyloid aggregation; however, a large class of non-amyloid protein aggregates are considered 'amorphous,' and in most cases li…
The role of evolutionary selection in the dynamics of protein structure evolution
Amy I. Gilson, Ahmee Marshall-Christensen, Jeong-Mo Choi +1
Emergence of new protein structures has proved difficult to trace in nature and engineer in the laboratory. However, one aspect of structure evolution has proved immensely helpful…