CZ3253:Computer Aided Drug design

Lectures

• Introduction
• Lecture 1: Drugs (Pharmacology) and Drug Development [part1]
• Lecture 2: Drugs (Pharmacology) and Drug Development [part2]
• Lecture 3: Drug and Chem-informatics Databases
• Lecture 4: Structural modeling of chemical molecules
• Lecture 5: Drug Design Methods I: QSAR [part1]
• Lecture 6: Drug Design Methods I: QSAR [part2]
• Lecture 7: Drug Design Methods II: SVM
• Lecture 8: Drug Design Methods III: Ligand-Protein Docking [part1]
• Lecture 9: Drug Design Methods III: Ligand-Protein Docking [part2]
• Lecture 10: Overview of Drug Testing Methods I: ADME
• Lecture 11: Overview of Drug Testing Methods II: TOX

Practicals

• Practical 1: Introduction to Sybyl and CoMFA (files)
• Practical 2: Ligand-Protein docking

Projects and Exam

• Project 1: Quantitative structure activity relationship (QSAR) of psychoactive compounds (25%)
• Project 2: Development of a computer aided drug design system (25%)
• Final Exams (50%)

Instructor
Dr. Chen Yu Zong
Department of Computational Science
National University of Singapore
Office: Blk S17 Room 07-24
Tel: 6874-6877. Fax: 6774-6756
E-mail: yzchen@cz3.nus.edu.sg
Web: http://www.cz3.nus.edu.sg/~yzchen (Lots of info about biocomputing)