The exponential growth of protein structure databases has motivated the development of
efficient deep learning methods that perform structural analysis tasks at large scale, ranging …

The function of a protein is determined by its structure, which creates a need for efficient
methods of protein structure determination to advance scientific and medical research …

Much progress has been made in Protein structure prediction during the last few decades.
As the predicted models can span a broad range of accuracy spectrum, the accuracy of …

Significant efforts in wet and dry laboratories are devoted to resolving molecular structures.
In particular, computational methods can now compute thousands of tertiary structures that …

The energy landscape, which organizes microstates by energies, has shed light on many
cellular processes governed by dynamic biological macromolecules leveraging their …

Background Protein structure prediction has achieved a lot of progress during the last few
decades and a greater number of models for a certain sequence can be predicted …

Homology modeling was long considered a method of choice in tertiary protein structure
prediction. However, it used to provide models of acceptable quality only when templates …

Background The structural information on proteins in their ligand-bound conformational state
is invaluable for protein function studies and rational drug design. Compared to the number …

Background Identifying one or more biologically-active/native decoys from millions of non-
native decoys is one of the major challenges in computational structural biology. The …

For many protein families, the deluge of new sequence information together with new
statistical protocols now allow the accurate prediction of contacting residues from sequence …