3D Tissue Models
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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