Using experimental results of protein design to guide biomolecular energy-function development.

Abstract excerpt

Computational models of macromolecules have many applications in biochemistry, but physical inaccuracies limit their utility. One class of models uses energy functions rooted in classical mechanics. The standard datasets used to train these models are limited in diversity, pointing to a need for new training data. Here, we sought to explore a new paradigm for training an energy function, where the Rosetta energy...

Topics

• Proteins
• Models, Molecular
• Computational Biology
• Protein Folding
• Protein Engineering
• Protein Conformation
• Thermodynamics
• Mutation
• Computer Simulation