Most proteins in cells are composed of multiple folding units (or domains) to perform
complex functions in a cooperative manner. Relative to the rapid progress in single-domain …

The prediction of protein three-dimensional structure from amino acid sequence has been a
grand challenge problem in computational biophysics for decades, owing to its intrinsic …

Structure prediction for proteins lacking homologous templates in the Protein Data Bank
(PDB) remains a significant unsolved problem. We developed a protocol, CI-TASSER, to …

Protein structure prediction can be used to determine the three-dimensional shape of a
protein from its amino acid sequence. This problem is of fundamental importance as the …

The Rosetta software for macromolecular modeling, docking and design is extensively used
in laboratories worldwide. During two decades of development by a community of …

Abstract Knowledge of protein structure can be used to predict the phenotypic consequence
of a missense variant. Since structural coverage of the human proteome can be roughly …

Computational prediction of protein structure from sequence is broadly viewed as a
foundational problem of biochemistry and one of the most difficult challenges in …

Direct coupling analysis (DCA) for protein folding has made very good progress, but it is not
effective for proteins that lack many sequence homologs, even coupled with time-consuming …

The original" Seven Motifs" set forth a roadmap of essential methods for the field of scientific
computing, where a motif is an algorithmic method that captures a pattern of computation …

Abstract Protein Structure Prediction is a central topic in Structural Bioinformatics. Since
the'60s statistical methods, followed by increasingly complex Machine Learning and recently …