Advances and Progress in Drug Design
Copthorne Tara Hotel
Scarsdale Place
Kensington, London
Advances and Progress in Drug Design  
SMI Conferences
Copthorne Tara Hotel
Scarsdale Place

Schedule of Presentations:

Monday, February 20, 2012
08:30:00 Registration & Coffee
09:00:00 Chairman's Opening Remarks
09:10:00 Case studies in utilizing pre-clinical and clinical biomarkers in drug discovery research: medicinal chemistry design of modulators of endocannabinoids and glucocorticoid receptor
09:45:00 Integral equation theory: finally a rigorous way to treat solvent binding free energy Paul Labute
10:20:00 Hit to lead with X-ray crystallography Kenton Longenecker
10:55:00 Morning Coffee
11:15:00 Molecular obesity, potency and other addictions in medicinal chemistry Mike Hann,
11:50:00 Delivering impact from HTS - drawing on experiences from the Pfizer portfolio
12:25:00 Ligand based in silico screening using Aureus pharmacology knowledgebases to boost drug discovery: application to lead identification and determination of mechanism of action
13:00:00 Networking Lunch
14:00:00 Choosing the best of both worlds: a comparison of ligand- and structure-based approaches for ADMET prediction Alexander Hillisch
14:35:00 Driving GPCR drug discovery with structural information Jonathan Mason
15:10:00 Pose prediction in lead optimization Brian Kelley
15:50:00 Afternoon Tea
16:10:00 Managing serendipity and the art of discovery Michael Bodkin
16:50:00 Lessons learnt in predicting hERG liabilities using different in-silico methods
17:20:00 Fragment-based de novo design Gisbert Schneider
17:55:00 Chairman’s Closing Remarks and Close of Day One
Tuesday, February 21, 2012
08:30:00 Registration & Coffee
09:00:00 Chairman's Opening Remarks David Brown
09:10:00 Biophysics in drug discovery: integrative use of structural, kinetic and thermodynamic data Matthias Frech
09:45:00 Linking HTS-based and fragment-based approaches to a productive lead identification process using structural biology and biophysics Herbert Nar
10:20:00 Accelerated determination of a LEAD Steven M. Albelda
10:55:00 Morning Coffee
11:15:00 A brief guide to fluorine-Protein interactions for the medicinal chemist
11:50:00 Data for drug discovery Peter Hersey
12:25:00 Protein flexibility in structure-based design Will Pitt
13:00:00 Networking Lunch
14:00:00 Noticing the unnoticed: bridging structural data and drug design Jose Duca
14:35:00 Towards a unified theory of GPCR activation
15:10:00 The design of allosteric modulators for the treatment of CNS disorders
15:45:00 Afternoon Tea
16:05:00 Drug Design across the world - integrating computational chemistry in a virtual discovery platform
16:40:00 Reducing attrition with computational approaches: where are we now? Alexander Alex
17:15:00 Chairman’s Closing Remarks and Close of Day Two
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