MOTIVATION Computational simulation of protein-protein docking can expedite the process of molecular modeling and drug discovery. This paper reports on our new F(2) Dock protocol which improves the state of the art in initial stage rigid body exhaustive docking search, scoring and ranking by introducing improvements in the shape-complementarity and electrostatics affinity functions, a new knowl...

One of the strategic objectives supply chains in automotive industry is development international sourcing. Renault works with a global network cross-docking platforms to link distant assembly plants first-tier suppliers. These act both as information and physical consolidation points. At shop-floor, inland deliveries are received, sorted, repacked (if needed) loaded onto containers for oversea...

This report addresses an important crossdocking planning operation which is the scheduling of trucks at crossdocking terminals. The study focuses on the problem in a resource-constrained crossdock. The truck scheduling problem in this scenario decides on the succession of incoming and outgoing trucks at the dock doors of the crossdocking terminal, subject to the availability of the crossdock re...

Despite considerable efforts, structural prediction of proteinpeptide complexes is still a very challenging task, mainly due to two reasons: high flexibility of the peptides and transient character of their interactions with proteins. Recently we have developed an automated web server CABS-dock (http://biocomp.chem.uw.edu.pl/CABSdock), which conducts flexible protein-peptide docking without any...

Protein-peptide interactions are often associated with large-scale conformational changes that are difficult to study either by classical molecular modeling or by experiment. Recently, we have developed the CABS-dock method for flexible protein-peptide docking that enables large-scale rearrangements of the protein chain. In this study, we use CABS-dock to investigate the binding of the p53-MDM2...