BCL Tutorials 2022
Youtube playlist
BCL workshop: Day 1 introduction
Tutorial 1: Molecule processing, handling, and standard tasks
Tutorial 2: Computing chemical properties and generating feature datasets
Tutorial 3: Quantitative structure-activity/property relationship (QSAR/QSPR) modeling and analysis
Tutorial 4: Ligand-based multi-component reaction design simulation of selective dopamine receptor D4 antagonists.
Tutorial 5: Alchemical structure-based design simulation of type I and II kinase inhibitors
Tutorial 6: Simulation of bump-and-hole chemical genetics design
Tutorial 7: Structure-based design simulation of selective small molecule dopamine receptor antagonists using alchemistry or single-shot reactions
Tutorial 8: Rapid generation of non-canonical amino acid (NCAA) params for Rosetta with BCL
