For the automated docking protocols, the outcome may strongly vary depending on the system studied, e.g. TNKS2 appears to be a convenient target for the explored set of ligands, while other cases were more challenging. Including core or MCS based constraints into Glide protocol also does not always facilitate accurate prediction of binding affinities. Similarly, MCS filtering for the open source Autodock Vina docking protocol may improve final prediction accuracy, but this effect is also system dependent. Overall, it is encouraging to see that the calculations based on the Vina poses can perform on par with the poses generated with the commercial software, demonstrating the feasibility of a fully open-source end-to-end RBFE workflow.