PDBCharges was published in an article
PDBCharges, a tool providing partial atomic charges for protein structures from the Protein Data Bank, was published in the journal Nucleic Acids Research.
Online advanced drug design workshop
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.
