Summer in Osaka

1
Summer in Osaka

• Marshall Levesque
• Progress Report 3
• July 28, 2006

2
Progress to Date

• Obtaining proper ligand database has become an
  obstacle due to calculation time and database
  size
• Differing methods of database filtering have been
  investigated/evaluated for use.
• Models for SHP protein catalytic sites were
  modeled and run through tests with known ligands
  using DOCK

3
Plan of Action

• Use qualities best suited for SHP/Gab proteins to
  filter the database of ligands
• Run multiple jobs of DOCK w/ a range of scoring
  methods to find the quickest/most accurate
  specific to proteins of interest
• Automate a large database screening over multiple
  clusters

4
Culture!