Computer-Aided Drug Design Teaching



Section Videos
Session 1 - Schedule, objectives and how-to Session1-objectives-howto.mp4 (65.7 MB; 6'04")
Session 1 - Prologue: molecular representations Session1-representations.mp4 (95.8 MB; 5'55")
Session 1 - Origin of 3D structures Session1-origin.mp4 (389.6 MB; 33'42")
Session 1 - Molecular recognition Session1-recognition-part1.mp4 (450.1 MB; 25'38")
Session1-recognition-part2.mp4 (418.7 MB; 25'36")
Session 2 - Binding free energy estimation Session2-binding_free_energy.mp4 (301.1 MB; 32'29")
Session 2 - Docking Session2-docking.mp4 (348.3 MB; 21'38")
Session 3 - Experimental molecular screening Session3-experimental-screening.mp4 (365.1 MB; 18'17")
Session 3 - Virtual screening Session3-virtual-screening.mp4 (214.8 MB; 26'05")
Session 3 - Library design and molecular filtering for screening Session3-library-filtering.mp4 (112.1 MB; 12'23")
Session 4 - Reverse virtual screening and target prediction Session4-target-prediction.mp4 (118.8 MB; 14'13")
Session 5 - ADME, pharmacokinetics, druglikeness Session5-ADME-part1.mp4 (294.3 MB; 28'58")
Session5-ADME-part2.mp4 (373.0 MB; 37'47")
Session 6 - Bioisosteric design Session6-bioisostere.mp4 (223.2 MB; 26'45")
Session 7 - Introduction to quantum methods for drug design Session7-QM-part1.mp4 (501.1 MB; 57'14")
Session7-QM-part2.mp4 (273.0 MB; 29'51")


The answers to exercises 5 and 6 (Practice Session 2) can be found in this PDF file.

The answers to exercise 7 and to questions of Practice Session 3 can be found in this PDF file.

The answers to questions of Practice Session 4 can be found in this PDF file.

The answers to questions of Practice Session 5 and to exercise 8 can be found in this PDF file.

The answers to questions of Practice Session 6 can be found in this PDF file.

The PDB file to use in Practice Session 7: ward24.pdb.

The answers to questions of Practice Session 7 can be found in this PDF file.