60 citations · 123 across the 4 of their papers we have counts for
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High resolution protein folding with a transferable potential
Isaac A. Hubner, Eric J. Deeds, Eugene I. Shakhnovich
A generalized computational method for folding proteins with a fully transferable potential and geometrically realistic all-atom model is presented and tested on seven different he…
Geometric and physical considerations for realistic protein models
Isaac A. Hubner, Eugene I. Shakhnovich
Protein structure is generally conceptualized as the global arrangement or of smaller, local motifs of helices, sheets, and loops. These regular, recurring secondary structural ele…
Nucleation and the transition state of the SH3 domain
Isaac A. Hubner, Katherine A. Edmonds, Eugene I. Shakhnovich
We present a verified computational model of the SH3 domain transition state (TS) ensemble. This model was built for three separate SH3 domains using experimental s in all-atom pro…
Simulation, Experiment, and Evolution: Understanding Nucleation in Protein S6 Folding
Isaac Hubner, Mikael Oliveberg, Eugene Shakhnovich
In this study, we explore nucleation and the transition state ensemble of the ribosomal protein S6 using a Monte Carlo Go model in conjunction with restraints from experiment. The…