Tutorials in chemoinformatics

Part 7: The protein 3D-structures in virtual screening

This chapter examines how to interpret structural information for understanding binding between therapeutically relevant protein and “drug-like” ligand. More

Part 8: Protein-ligand docking

This chapter presents a tutorial emphasizing the key role of modelers to reproduce an experimental binding mode using the docking approach. More

Part 9: Pharmacophorical profiling using shape analysis

This chapter examines how to interpret structural information for understanding binding between therapeutically relevant protein and “drug-like” ligand. More