4 papers
Expanding Protein Structure Prediction into Conformational State Space
Devlina Chakravarty, Justin J. Miller, Da Teng +9
Recent AI advances have enabled protein structure prediction at near-experimental accuracy, largely solving the problem of identifying a dominant conformation from sequence. Many p…
Fold-switching proteins push the boundaries of conformational ensemble prediction
Myeongsang Lee, Lauren L. Porter
A protein's function depends critically on its conformational ensemble, a collection of energy weighted structures whose balance depends on temperature and environment. Though rece…
Fold-switching Proteins
Devlina Chakravarty, Lauren L. Porter
Globular proteins are expected to assume folds with fixed secondary structures, alpha-helices and beta-sheets. Fold-switching proteins challenge this expectation by remodeling thei…
Proteins with alternative folds reveal blind spots in AlphaFold-based protein structure prediction
Devlina Chakravarty, Myeongsang Lee, Lauren L. Porter
In recent years, advances in artificial intelligence (AI) have transformed structural biology, particularly protein structure prediction. Though AI-based methods, such as AlphaFold…