Our external associate, Karel Berka, is organising an Advanced in silico Drug Design workshop/challenge. It will take place from 30th January to 3rd February 2023. The workshop will cover structure-based drug design (molecular docking, molecular dynamics, structural bioinformatics tools) and ligand-based drug design (QSAR, pharmacophores, deep learning) with lectures and hands-on tutorials. The workshop is a hybrid one, with its venue being in Olomouc. More information is available on the workshop's website.
PDBCharges, a tool providing partial atomic charges for protein structures from the Protein Data Bank, was published in the journal Nucleic Acids Research.
