Article
The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design.
Journal of chemical theory and computation - 13 Jun 2017
Alford Rebecca F, Leaver-Fay Andrew, Jeliazkov Jeliazko R, O'Meara Matthew J, DiMaio Frank P, Park Hahnbeom, Shapovalov Maxim V, Renfrew P Douglas, Mulligan Vikram K, Kappel Kalli, Labonte Jason W, Pacella Michael S, Bonneau Richard, Bradley Philip, Dunbrack Roland L, Das Rhiju, Baker David, Kuhlman Brian, Kortemme Tanja, Gray Jeffrey J
Abstract excerpt
Over the past decade, the Rosetta biomolecular modeling suite has informed diverse biological questions and engineering challenges ranging from interpretation of low-resolution structural data to design of nanomaterials, protein therapeutics, and vaccines. Central to Rosetta's success is the energy function: a model parametrized from small-molecule and X-ray crystal structure data used to approximate the energy...
Read the complete abstract on PubMedTopics
Share this publication in a Topic to start or enrich a Post.