{"id":1975,"date":"2019-01-10T14:22:51","date_gmt":"2019-01-10T14:22:51","guid":{"rendered":"http:\/\/ukqsar.org\/?p=1975"},"modified":"2019-05-13T09:49:28","modified_gmt":"2019-05-13T09:49:28","slug":"ukqsar-spring-2019-cambridge","status":"publish","type":"post","link":"https:\/\/ukqsar.org\/index.php\/2019\/01\/10\/ukqsar-spring-2019-cambridge\/","title":{"rendered":"UKQSAR Spring 2019 – Cambridge"},"content":{"rendered":"

Registration for the UKQSAR Spring 2019 meeting\u00a0is now open. Please complete your registration at this link<\/a>.\u00a0 This will take place in the Howard Theatre at Downing College, Cambridge, CB2 1DQ on Thursday 4th<\/sup> April 2019.\u00a0 The event is hosted by Astex Pharmaceuticals and is themed around structure-based drug discovery.<\/p>\n

Spring 2019 UK QSAR Meeting \u2013 Programme<\/strong><\/p>\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
9:15<\/strong><\/td>\nCoffee<\/strong><\/td>\n<\/tr>\n
9:45<\/strong><\/td>\nWelcome and introduction<\/strong><\/td>\n<\/tr>\n
10:00<\/strong><\/td>\nLucy Colwell<\/strong> \u2013 Cambridge University<\/p>\n

Using evolutionary sequence variation to build predictive models of protein structure and function<\/em><\/td>\n<\/tr>\n

10:30<\/strong><\/td>\nHerman van Vlijmen<\/strong> \u2013 Janssen<\/p>\n

Utility of simulation methods from an industry perspective<\/em><\/td>\n<\/tr>\n

11:00<\/strong><\/td>\nBreak<\/strong><\/td>\n<\/tr>\n
11:30<\/strong><\/td>\nGian Marco Ghiandoni<\/strong> (poster prize winner) \u2013 Sheffield University<\/p>\n

Reaction Class Recommendation Models<\/em><\/a><\/td>\n<\/tr>\n

12:00<\/strong><\/td>\nFlash poster presentations<\/strong><\/td>\n<\/tr>\n
12:30<\/strong><\/td>\nLunch & posters<\/strong><\/td>\n<\/tr>\n
13:30<\/strong><\/td>\nBissan Al-Lazikani<\/strong> \u2013 Institute of Cancer Research<\/p>\n

Druggable targets beyond the obvious<\/em><\/td>\n<\/tr>\n

14:00<\/strong><\/td>\nMark Mackey<\/strong> \u2013 Cresset<\/p>\n

Electrostatic ComplementarityTM<\/sup> as a fast and effective tool to optimize binding and selectivity of protein-ligand complexes<\/em><\/a><\/td>\n<\/tr>\n

14:30<\/strong><\/td>\nChris Murray<\/strong> \u2013 Astex Pharmaceuticals<\/p>\n

Pushing the boundaries of fragment-based discovery<\/em><\/td>\n<\/tr>\n

15:00<\/strong><\/td>\nBreak<\/strong><\/td>\n<\/tr>\n
15:30<\/strong><\/td>\nCharlotte Deane<\/strong> \u2013 Oxford University<\/p>\n

Using structural information to aid in-silico therapeutic design from next-generation sequencing repertoires of antibodies<\/em><\/a><\/td>\n<\/tr>\n

16:00<\/strong><\/td>\nAndrea Cavalli<\/strong> \u2013 Italian Institute of Technology<\/p>\n

Dynamic docking to investigate thermodynamics and kinetics of drug-target binding<\/em><\/td>\n<\/tr>\n

16:30<\/strong><\/td>\nSamantha Hughes<\/strong> \u2013 AstraZeneca<\/p>\n

Structure-based design of a potent and selective ATAD2 bromodomain inhibitor<\/em><\/td>\n<\/tr>\n

17:00<\/strong><\/td>\nEnd<\/strong><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n

Posters<\/strong><\/p>\n

How does conformal prediction perform on a wide range of ChEMBL datasets?<\/em><\/a>\u00a0– Nicolas Bosc<\/p>\n

Computer aided drug design study of alcohol dehydrogenase C from Mycobacterium tuberculosis<\/a> –\u00a0<\/em>David Cauwenbergh<\/p>\n

Hotspots API: A Toolkit for the Application of Fragment Hotspot Mapping to SBDD<\/a> –\u00a0<\/em>Peter Curran<\/p>\n

Open Source Implementation of Astex Fragment Network and Availability as REST Service<\/a> –\u00a0<\/em>Tim Dudgeon<\/p>\n

OpenRiskNet: an open e-infrastructure to support data sharing, knowledge integration and in silico analysis and modelling in risk assessment<\/em><\/a> – Tim Dudgeon<\/p>\n

Assessment and Preparation of Crystal Structures for Drug Design<\/em><\/a> – Andrew Henry<\/p>\n

Development of QSAR models for the prediction of succinate-cytochrome c reductase inhibition<\/em><\/a> – Alicia Rosell-Hidalgo<\/p>\n

Designing a fragment library: the Domainex approach<\/em><\/a> – Christine Richardson<\/p>\n

Debiasing Algorithms and Generalization in Protein-Ligand Binding<\/em><\/a> – Vikram Sundar<\/p>\n

Deep Learning Based on Sparse and Noisy Data to Improve Predictions of Compound Activities<\/em><\/a> – Thomas Whitehead<\/p>\n

 <\/p>\n

Downing College<\/a> is\u00a0located in the centre of Cambridge and Cambridge Rail Station is just 15 minutes\u2019 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 \u2013 see http:\/\/cambridgeparkandride.info\/index.shtml<\/a> for more details.\u00a0 Cambridge bus station is 10 minutes\u2019 walk from Downing College.\u00a0 Extremely limited car parking is offered within the College grounds though subject to availability.<\/p>\n

If you require overnight accommodation visit https:\/\/www.visitcambridge.org\/accommodation<\/a> for details of hotels in the city centre.<\/p>\n

There will be an informal dinner and drinks (self funded) in central Cambridge on Wednesday 3rd<\/sup> April (the evening before the meeting) \u2013 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.<\/p>\n

UK-QSAR meetings are often oversubscribed so do register asap to avoid disappointment.\u00a0 If you have registered\u00a0 but can no longer attend PLEASE LET US KNOW so we can release your place.<\/p>\n","protected":false},"excerpt":{"rendered":"

Registration for the UKQSAR Spring 2019 meeting\u00a0is now open. Please complete your registration at this link.\u00a0 This will take place<\/p>\n","protected":false},"author":15,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_jetpack_newsletter_access":"","_jetpack_dont_email_post_to_subs":false,"_jetpack_newsletter_tier_id":0,"_jetpack_memberships_contains_paywalled_content":false,"_jetpack_feature_clip_id":0,"_jetpack_memberships_contains_paid_content":false,"footnotes":"","jetpack_post_was_ever_published":false},"categories":[4],"tags":[],"class_list":["post-1975","post","type-post","status-publish","format-standard","hentry","category-meetings"],"aioseo_notices":[],"aioseo_head":"\n\t\t\n\t\n\t\n\t\n\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t