Talktorials by collection

Our talktorials (portmanteau for talk and tutorial) address many topics central to computer-aided drug design. We have prepared some collections which group our extensive list of talktorials into cohesive lessons that deal with one of those topics, including cheminformatic, online queries and structural biology. Enjoy!

Edition 2019 - JCIM

Talktorials as presented in the original JCIM 2019 article:

Edition 2021

Talktorials of the second major release as presented in the Nucleic Acids Research 2022 article:

Ligand-based cheminformatics

The basis for computer-aided drug discovery

Structural biology

3D models, structural similarity, protein-ligand interaction analysis and other methods

Online APIs/servers

Online API/servers for structural bioinformatics and cheminformatics

Kinase similarity

Kinase similarity comparison using various methods as presented in the LiveCoMS 2021 article:

Deep learning

Various deep learning architectures for drug discovery tasks as presented in the ChemRxiv preprint 2023: