Structure-Based Drug Design
Royal Sonesta Hotel
40 Edwin Land Boulevard
Cambridge, MA
Keywords: Structure-Based Drug Design, Cambridge Healthtech Institute

Schedule of Presentations:

Thursday, June 4, 2009
07:25:00 Main Conference Norman Baylor, William M. Egan, Frank Malinoski, Indresh K. Srivastava, Margaret A. Liu, Donald Jarvis, Haval Shirwan
07:45:00 Conference Registration and Morning Coffee
08:15:00 Organizer’s Welcoming Remarks Micah Lieberman
08:20:00 Chairperson’s Remarks Paul Labute
08:25:00 Structure and Function of the G-protein Coupled Receptor Family
08:25:00 Keynote Presentation:
08:30:00 Structure and Function of the G-Protein Coupled Receptor Family Raymond C. Stevens
09:00:00 Structure-Based Drug Design for GPCRs Miles Congreve
09:15:00 Target Structure-Guided Drug Discovery
09:30:00 Design of Novel, Potent, Selective, Orally Bioavailable, and Efficacious Renin Inhibitors Suresh Singh
10:00:00 Virtual Screening for R-Groups Sponsored by Tripos
10:30:00 Networking Coffee Break, Poster and Exhibit Viewing
11:00:00 Discovery of Novel Cyclin-Dependent Kinases Inhibitors: A CDK2 Case Study in Structure-Based Drug Design José Duca
11:30:00 A Flexible Approach to Induced Fit Docking Sander B. Nabuurs
11:30:00 Special Co-Presentation
12:15:00 Structure-Guided Design of Potent and Selective ERK inhibitors – A Kinase Selectivity Case Study Alex Aronov
12:45:00 Structure Based Design of PDE4 Allosteric Modulators Alex Burgin
13:15:00 Luncheon Technology Presentation (Opportunity Available) or Lunch on Your Own
13:15:00 Feeding SBDD with Biochemical and Biophysical Information
14:10:00 Chairperson’s Remarks Gergely Toth
14:15:00 Supplementing Structural Information with Biophysical Data: Adding Value and Understanding in Lead Generation Stefan Geschwindner
14:45:00 Using Thermodynamic Information to Enhance Quality of Design in Lead Generation Andrew D. Scott
15:15:00 Networking Refreshment Break, Poster and Exhibit Viewing
15:20:00 SBDD of Pharmacological Chaperons
16:00:00 Towards Rational Drug Design for Intrinsically Unstructured Proteins - Small Molecules Mediated Inhibition of a-Synuclein Aggregation Gergely Toth
16:30:00 SBDD of Pharmacological Chaperons Dagmar Ringe
17:00:00 Thinking Out Loud, a Day One Closing Panel: Are we ready for a GPCR structural explosion? Raymond C. Stevens, Tomi Sawyer, Ajay N. Jain, José Duca
17:30:00 Networking Reception in the Exhibit Hall Sponsored by Chemical Computing
Friday, June 5, 2009
07:30:00 Breakfast Presentation (Opportunity Available) or Morning Coffee
07:35:00 The Race for Chemical and Biology Space
08:20:00 Chairperson’s Remarks José Duca
08:30:00 The Race for Chemical and Biological Space: A Drug Design Perspective Tomi Sawyer
08:30:00 Ligand-Based Predictions Applied to Drug Design
09:00:00 Predicting the Activity of Congeneric Series W. Patrick Walters
09:30:00 Designing Drugs against Multiple Parameters: Scoring Functions for Multi-Parameter Ligand Based De Novo Design James R. Damewood
10:00:00 SPR-Based Screening of Fragment Library and Follow-up of Hits Girija Krishnamurthy
10:15:00 Networking Coffee Break, Poster and Exhibit Viewing
11:00:00 Improving the Quality of Structure-Based Virtual Screen by The Interaction-Focused Post-Docking Analysis Suo-Bao Rong, Brian S. Bronk
11:30:00 Fragment-Based Drug Discovery (FBDD) Richard J. Law
12:00:00 Entropy, Solvation and Strain Energy – the Stumbling Blocks in Binding Free Energy Calculations Enrico O. Purisima
12:30:00 Luncheon Technology Presentation (Opportunity Available) or Lunch on Your Own
12:35:00 SBDD and Computational Chemistry Methods: A Marriage of Innovation
13:25:00 Chairperson’s Remarks Tomi Sawyer
13:25:00 Poster Award Announcement
13:30:00 Methods for Structure-Based Scaffold Replacement Paul Labute
14:00:00 Application of Free Energy Perturbation Calculations in Drug Discovery Woody Sherman
14:15:00 Networking Refreshment Break, Poster and Exhibit Viewing
15:00:00 Structure-Based and Ligand-Based Computational Modeling of Pharmacological Profiles Ajay N. Jain
15:35:00 Protein-Ligand Docking against Non-Native Protein Conformers Marcel Verdonk
16:00:00 Binding Site Detection and Druggability Index from First Principles Xavier Barril
16:30:00 Closing Remarks
16:45:00 Close of Conference
3D Tissue Models
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