查看文章

Structures of proteins complexed with other proteins, peptides, or ligands are essential for investigation of molecular mechanisms. However, the experimental structures of protein complexes of interest are often not available. Therefore, computational methods are widely used to predict these structures, and, of those methods, template‐based modeling is the most successful. In the rounds 38‐45 of the Critical Assessment of PRediction of Interactions (CAPRI), we applied template‐based modeling for 9 of 11 protein‐protein and protein‐peptide interaction targets, resulting in medium and high‐quality models for six targets. For the protein‐oligosaccharide docking targets, we used constraints derived from template structures, and generated models of at least acceptable quality for most of the targets. Apparently, high flexibility of oligosaccharide molecules was the main cause preventing us from obtaining models of …