Applications of
Cheminformatics & Chemical Modelling
to Drug Discovery
2009 Oxford (Discovery)



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Drug Discovery Design Methods & Applications
Virtual screening, structure-based drug design, cheminformatics and molecular modelling supporting drug discovery and design

a Hands-on 5 Day eCheminfo Workshop Week

20-24 July 2009; Medical Sciences Teaching Center, Oxford University, Oxford, UK

facilitated by Barry Hardy

Work through in detail and discuss case studies, practical examples, methods and emerging techniques with leading modelling experts!

Virtual Screening & Docking
Structure-based Drug Design
Ligand Optimisation & Library Design
Structure Search, Similarity and Property Estimation
Data Mining, Analysis & Visualisation
Pharmacophore Modelling for Lead Identification
Fragment-based Drug Design
Molecular Modelling & Simulation

These workshops are aimed to provide a set of stimulating workshops using latest advanced modelling techniques of relevance to chemists, life scientists and modellers working in drug discovery. Participants should return to their labs with new ideas, best practices and software experiences to maximise productivity in their own drug discovery research activities.

Workshop groups will study problems with hands-on examples using leading-edge software and discuss complex issues highlighted by examples and case studies presented by instructors. A case study set will be used to link all workshop activities through the week.

Software packages and an IT classroom will be used by instructors and participants to work through drug discovery and design problems. Participants may propose problems and issues to the faculty ahead of the workshop. Participants will also have ample opportunity to discuss their perspectives and criticisms of the methods studied and should take-away key nuggets of understanding from these intensive sessions.

View 2008 Workshop Program…

A Bursary Award will be used to support the attendance of a selection of academic participants at the workshop.
More Information....


ADMET Workshop
A second workshop week focusing on the case study application of Predictive ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicology) methods to drug discovery and development will take place the following week of 27-31 July 2009. Participants may participate in either week or both.
More Information....
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