Connecting Structure to Function:

from calculation to experiment and back again

A meeting in recognition of Andy (J.G.) Vinter

Downing College, Cambridge, UK.
September 19th - 21st, 2011.

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September 19th, 2011

Registration will be open from 11.30pm, in the Howard Theatre, and refreshments will be available.

Session 1, Chair: Bobby Glen
14:00 - 14.10 Bobby Glen University of Cambridge Opening remarks
14:10 - 14:55 Garland Marshall Washington University St Louis Plenary Lecture: Experimental estimates of the entropies of binding - a new criterion for validation.
14:55 - 15:30 Brian Warrington Consultant Hindsight is always 20/20.
15:30 - 16:00 Refreshments
16:00 - 16:35 Tim Clark University of Erlangen Intermolecular interactions: not just electrostatics
16:35 - 17:30 Posters, exhibition and wine

September 20th, 2011
Session 2, Chair: Garland Marshall
09:00 - 09:35 Chris Hunter University of Sheffield Solvation
09:35 - 10:10 Caroline Low Imperial College Title TBC
10:10 - 10:45 Colin Groom CCDC Learning from the interactions of 40 million atoms.
10:45 - 11:15 Refreshments
11:15 - 11:50 Mark Mackey Cresset 25 years of field points - what have we learned?
11:50 - 12.25 Jon Waltho University of Sheffield Enzyme catalysis of phosphoryl transfer
12:25 - 14:00 Lunch and posters/exhibition
Session 3, Chair:Tim Clark
14:00 - 14:35 Bobby Glen University of Cambridge Finding antagonists at the Apelin (APJ) receptor: Dynamics, Design and Pharmacology
14:35 - 15:10 Robin Taylor Consultant Conformer generation: a solved problem?
15:10 - 15:40 Refreshments
15:40 - 16:15 Andrew Leach GSK Computational chemistry: where next?
16:15 - 17:30 Posters and exhibition
A Gala Dinner, in Andy's honour, will be held at Downing College. Drinks will be available from 7pm, with the meal at 7.30pm.

September 21st, 2011

Session 4, Chair: Chris Richardson
09:15 - 10:00 Andy Vinter Cresset Plenary Lecture: XEDs: System Interactions from Micro to Macro
10:00 - 10:35 Richard Lewis Novartis Fluorine in drug design
10:35 - 11:05 Refreshments
11:05 - 11:40 Tudor Oprea University of New Mexico Computer-Aided Drug Repurposing
11:40 - 11:50 Chris Richardson BioFocus Closing remarks