Molecular dynamics simulations have evolved into a mature technique that can be used
effectively to understand macromolecular structure-to-function relationships. Present …

Since Anfinsen demonstrated that the information encoded in a protein's amino acid
sequence determines its structure in 1973, solving the protein structure prediction problem …

Motivation Methods that estimate the quality of a 3D protein structure model in absence of an
experimental reference structure are crucial to determine a model's utility and potential …

Motivation: Identification of protein–ligand binding sites is critical to protein function
annotation and drug discovery. However, there is no method that could generate optimal …

The iterative threading assembly refinement (I-TASSER) server is an integrated platform for
automated protein structure and function prediction based on the sequence-to-structure-to …

Targeted T cells are emerging as effective non-toxic therapies for cancer. Multiple elements,
however, contribute to the overall pathogenesis of cancer through both distinct and …

HHpred is a fast server for remote protein homology detection and structure prediction and is
the first to implement pairwise comparison of profile hidden Markov models (HMMs). It …

Abstract The Robetta server (http://robetta. bakerlab. org) provides automated tools for
protein structure prediction and analysis. For structure prediction, sequences submitted to …

Abstract Model quality estimation is an essential component of protein structure prediction,
since ultimately the accuracy of a model determines its usefulness for specific applications …

In protein structure prediction, a considerable number of alternative models are usually
produced from which subsequently the final model has to be selected. Thus, a scoring …