Complete list of talktorials¶
This is the complete list of talktorials available for online reading. Take into account that the correlative numbering does not necessarily imply two consecutive lessons are related. For cohesive lessons, please check Talktorials by collections.
- T001 · Compound data acquisition (ChEMBL)
- T002 · Molecular filtering: ADME and lead-likeness criteria
- T003 · Molecular filtering: unwanted substructures
- T004 · Ligand-based screening: compound similarity
- T005 · Compound clustering
- T006 · Maximum common substructure
- T007 · Ligand-based screening: machine learning
- T008 · Protein data acquisition: Protein Data Bank (PDB)
- T009 · Ligand-based pharmacophores
- T010 · Binding site similarity and off-target prediction
- T011 · Querying online API webservices
- T012 · Data acquisition from KLIFS
- T013 · Data acquisition from PubChem
- T014 · Binding site detection
- T015 · Protein ligand docking
- T016 · Protein-ligand interactions
- T017 · Advanced NGLview usage
- T018 · Automated pipeline for lead optimization
- T019 · Molecular dynamics simulation
- T020 · Analyzing molecular dynamics simulations
- T021 · One-Hot Encoding
- T022 · Ligand-based screening: neural networks
- T023 · What is a kinase?
- T024 · Kinase similarity: Sequence
- T025 · Kinase similarity: Kinase pocket (KiSSim fingerprint)
- T026 · Kinase similarity: Interaction fingerprints
- T027 · Kinase similarity: Ligand profile
- T028 · Kinase similarity: Compare different perspectives
- T033 · Molecular representations
- T034 · RNN-based molecular property prediction
- T035 · GNN-based molecular property prediction
- T036 · An introduction to E(3)-invariant graph neural networks
- T037 · Uncertainty estimation
- T038 · Protein Ligand Interaction Prediction