Molecular docking simulation is a very popular and well-established computational
approach and has been extensively used to understand molecular interactions between a …

Advances over the past few years have begun to enable prediction and design of
macromolecular structures at near-atomic accuracy. Progress has stemmed from the …

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 …

The evolutionary trajectory of a protein through sequence space is constrained by its
function. Collections of sequence homologs record the outcomes of millions of evolutionary …

We have recently completed a full rearchitecturing of the Rosetta molecular modeling
program, generalizing and expanding its existing functionality. The new architecture enables …

Background Today, recognition and classification of sequence motifs and protein folds is a
mature field, thanks to the availability of numerous comprehensive and easy to use software …

The objective of this review is to enable researchers to use the software package Rosetta for
biochemical and biomedicinal studies. We provide a brief review of the six most frequent …

We describe predictions made using the Rosetta structure prediction methodology for the
Eighth Critical Assessment of Techniques for Protein Structure Prediction. Aggressive …

The bestselling introduction to bioinformatics and genomics–now in its third edition Widely
received in its previous editions, Bioinformatics and Functional Genomics offers the most …

What conformations do protein molecules populate in solution? Crystallography provides a
high-resolution description of protein structure in the crystal environment, while NMR …