Molecular Modeling and Drug Docking Hands-on Course
Digital Media Center Teaching Lab,
Biochemical Sciences Building
420 Henry Mall
The Small Molecule Screening and Synthesis Facility (SMSSF) in the UW Comprehensive Cancer Center (School of Medicine and Public Health) uses high-throughput screening robotics to screen libraries of chemicals in assays for small molecule interactions with drug targets. To assist in understanding how these small molecules interact with their targets, the SMSSF provides molecular modeling services, including in-silico drug docking services. The SMSSF also provides an opportunity for the community to learn how to model these drugs in their targets through this course. The course will cover the basics of protein and small molecule modeling using the commercial software Sybyl from Tripos. Then several docking programs, such as SurFlex, and Autodock4, will be examined with real examples from the literature.
Held in the Digital Media Center teaching lab in the new Biochemistry Building, each student will be running Sybyl on a Linux server thru a Macintosh interface.
The cost of the course is $250, usually paid by the professor. There is no UW credit for this course.
The course has been taught since 2003 by Dr. Ken Satyshur, from the SMSSF who has more than 30 years experience with molecular modeling and X-ray crystallography. Contact Dr. Ken Satyshur if you wish to participate.
Also this year: How to use the electron density fitting program Coot to examine published X-ray crystal structures.
Learn more about the Small Molecule Screening and Synthesis Facility.