Computer Aided Drug Design

Synopsis
3D structure and function of biomolecules. The targets of drugs and design principles. Genetic algorithms and quantitative structure-activity relationships. Chemical compound databases and search tools. Interactive graphics in drug design. Molecular surfaces and algorithm of automated docking of drugs into receptor sites. Introduction to docking softwares.

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)

Schedule

• Lectures:
  • Lect 1,
  • Lect 2
• Labs:
  • Lab 1,
  • Lab 2
• Tutorials:
  • Tut 1,
  • Tut 2
• Grade:
  • Final exam,
  • Mid-term exam,
  • Lab
• Exams:
  • One mid-term exam:
  • One final exam:

Module Outline
Outline

Lab Schedule
Schedule

Tutorials
Tutorials

A Note About Textbook
Textbook

References:
References