%0 Journal Article %T Coarse-grained and atomic resolution biomolecular docking with the ATTRACT approach %+ Unité de Biologie Fonctionnelle et Adaptative (BFA (UMR_8251 / U1133)) %A Glashagen, Glenn %A de Vries, Sjoerd %A Uciechowska-Kaczmarzyk, Urszula %A Samsonov, Sergey A. %A Murail, Samuel %A Tuffery, Pierre %A Zacharias, Martin %< avec comité de lecture %@ 0887-3585 %J Proteins - Structure, Function and Bioinformatics %I Wiley %V 88 %N 8 %P 1018-1028 %8 2019 %D 2019 %R 10.1002/prot.25860 %K PREDICTION %K INTERFACE %K PROTEIN-PROTEIN DOCKING %K FORCE-FIELD %K NORMAL-MODES %K SIDE-CHAIN %K FLEXIBILITY %K BINDING %K DYNAMICS %K REFINEMENT %Z Life Sciences [q-bio]Journal articles %X The ATTRACT protein-protein docking program has been employed to predict protein-protein complex structures in CAPRI rounds 38-45. For 11 out of 16 targets acceptable or better quality solutions have been submitted (~70%). It includes also several cases of peptide-protein docking and the successful prediction of the geometry of carbohydrate-protein interactions. The option of combining rigid body minimization and simultaneous optimization in collective degrees of freedom based on elastic network modes was employed and systematically evaluated. Application to a large benchmark set indicates a modest improvement in docking performance compared to rigid docking. Possible further improvements of the docking approach in particular at the scoring and the flexible refinement steps are discussed. %G English %L hal-03201555 %U https://cnrs.hal.science/hal-03201555 %~ UNIV-PARIS7 %~ CNRS %~ USPC %~ UNIV-PARIS %~ UP-SCIENCES %~ BFA %~ TEST3-HALCNRS