Registration for the UKQSAR Spring 2019 meeting is now open. Please complete your registration at this link. This will take place in the Howard Theatre at Downing College, Cambridge, CB2 1DQ on Thursday 4th April 2019. The event is hosted by Astex Pharmaceuticals and is themed around structure-based drug discovery.
Spring 2019 UK QSAR Meeting – Programme
|9:45||Welcome and introduction|
|10:00||Lucy Colwell – Cambridge University
Using evolutionary sequence variation to build predictive models of protein structure and function
|10:30||Herman van Vlijmen – Janssen
Utility of simulation methods from an industry perspective
|11:30||Gian Marco Ghiandoni (poster prize winner) – Sheffield University|
|12:00||Flash poster presentations|
|12:30||Lunch & posters|
|13:30||Bissan Al-Lazikani – Institute of Cancer Research
Druggable targets beyond the obvious
|14:00||Mark Mackey – Cresset
Electrostatic ComplementarityTM as a fast and effective tool to optimize binding and selectivity of protein-ligand complexes
|14:30||Chris Murray – Astex Pharmaceuticals
Pushing the boundaries of fragment-based discovery
|15:30||Charlotte Deane – Oxford University
Using structural information to aid in-silico therapeutic design from next-generation sequencing repertoires of antibodies
|16:00||Andrea Cavalli – Italian Institute of Technology
Dynamic docking to investigate thermodynamics and kinetics of drug-target binding
|16:30||Samantha Hughes – AstraZeneca
Structure-based design of a potent and selective ATAD2 bromodomain inhibitor
How does conformal prediction perform on a wide range of ChEMBL datasets? – Nicolas Bosc
Computer aided drug design study of alcohol dehydrogenase C from Mycobacterium tuberculosis – David Cauwenbergh
Hotspots API: A Toolkit for the Application of Fragment Hotspot Mapping to SBDD – Peter Curran
Open Source Implementation of Astex Fragment Network and Availability as REST Service – Tim Dudgeon
OpenRiskNet: an open e-infrastructure to support data sharing, knowledge integration and in silico analysis and modelling in risk assessment – Tim Dudgeon
Assessment and Preparation of Crystal Structures for Drug Design – Andrew Henry
Development of QSAR models for the prediction of succinate-cytochrome c reductase inhibition – Alicia Rosell-Hidalgo
Designing a fragment library: the Domainex approach – Christine Richardson
Debiasing Algorithms and Generalization in Protein-Ligand Binding – Vikram Sundar
Deep Learning Based on Sparse and Noisy Data to Improve Predictions of Compound Activities – Thomas Whitehead
Downing College is located in the centre of Cambridge and Cambridge Rail Station is just 15 minutes’ walk away. If you are travelling by car Cambridge park and ride has free parking and buses to the city centre cost three pounds for a return ticket – see http://cambridgeparkandride.info/index.shtml for more details. Cambridge bus station is 10 minutes’ walk from Downing College. Extremely limited car parking is offered within the College grounds though subject to availability.
If you require overnight accommodation visit https://www.visitcambridge.org/accommodation for details of hotels in the city centre.
There will be an informal dinner and drinks (self funded) in central Cambridge on Wednesday 3rd April (the evening before the meeting) – please indicate whether you are interested in attending when you register for the meeting so we have some idea of numbers. More information will be made available closer to the time.
UK-QSAR meetings are often oversubscribed so do register asap to avoid disappointment. If you have registered but can no longer attend PLEASE LET US KNOW so we can release your place.