Programme

CCP4 STUDY WEEKEND 2016 - "Protein-Ligand Complexes: Understanding Biological Chemistry"


Note that the programme will be updated as talks are confirmed and abstracts are received so please check back regularly for latest information.


  In addition abstracts/presentations will be made available through the registration pages before and after the meeting.


Books of Abstracts will be issued at the conference. .

NOTE: All talks for the CCP4 Study Weekend will take place in the Conference Theatre

Friday 8 January 2016


13:00 - 17:00   Registration open in the foyer of the Orchard hotel (next to East Midlands Conference Centre)
15:00 - 18:15   Diamond MX User Group Meeting in the B63 in the Law & Sciences Building (see "User Meeting")

Saturday 9 January 2016


08:30   Registration opens in the foyer of the Conference Centre


10:00  Tea and Coffee Available

PROGRAMME FOR THE MAIN EVENT

(This will be updated and refined in the run up to the Conference when titles are confirmed  - you can also see full details of the programme at https://eventbooking.stfc.ac.uk/news-events/ccp4-study-weekend-2016 along with abstracts and papers as they become available from the Speakers. )
09:00 - 10:30 What's New in CCP4? (See What's new in CCP4?) Ville Uski
10:30 - 11:00 Coffee / Tea
11:00 - 11:10  Welcome Judit Debreczeni (Astra Zeneca) & Paul Emsley (MRC Laboratory of Molecular Biology)
Session 1 - Key note 1
11:10 - 11:55  Introduction to protein-ligand complexes - the Twilight experience Bernhard Rupp(q.e.d. Life Science Discoveries, Inc., USA)
Session 2 - Sample preparation
11:55 - 12:20 Classical ligand complex sample preparation techniques TBC (TBC)  
12:20 - 12:45 Emerging techniques for ligand complex crystal preparation and data collection Patrick Collins (Diamond Light Source)  
12:45 - 14:15 Lunch (including Lunchtime Bytes sessions)    
Session 1 (continued) - Key note 2
14:15 - 15:00  Protein Ligand Complexes - a perspective from the PDB  Stephen Burley(Rutgers University, USA)  
Session 3 - Refinement and Restrains
15:00 - 15:25 The use of Restraints and Refinement Roberto Steiner (Kings' College London)  
15:25 - 15:50 Dictionary Generators: an Overview Julie Tucker (Newcastle University)  
15:50 - 16:30 CCP4 AceDRG Garib Murshudov (MRC Laboratory of Molecular Biology)  
16:30 - 17:00 Tea/coffee    
Session 4 - Ligand Fitting
17:00 - 17:25 Ligand Fitting in CCP4 Rob Nicholls (MRC Laboratory of Molecular Biology)  
17:25 - 17:50 Ligands in ARP/wARP Joana Pereira (EMBL)  
17:50 - 18:15 Fragment fitting with multiple datasets Nicholas Pearce (Structural Genomics Consortium)  
18:15 - 18:40 What's in my blob? Paul Adams (Lawrence Berkeley National Laboratory, USA)  
19:00 - 24:00 Dinner    

Sunday 10 January 2016


Session 5 - Validation
09:00 - 09:30 Ligand Visualisation, Validation and Scoring Paul Emsley (MRC Laboratory of Molecular Biology)  
09:30 - 10:00 Automated detection, building and validation of carbohydrates - Privateer Jon Agirre (University of York)  
10:00 - 10:30 Validation of metal and other single atom binding sites in macromolecular structures Heping Zheng (University of Virginia, USA)  
10:30 - 11:00 CCDC tools for Macromolecular Crystallography Jason Cole (Cambridge Crystallographic Data Centre)  
11:00 - 11:30 Coffee/Tea    
Session 6 - Tracking Hydrogen Atoms
11:30 - 12:00 Getting the Chemistry Right Ben Bax (GlaxoSmithKline)  
12:00 - 12:30 Crystallography and Chemical Computing Greg Warren (OpenEye Scientific Software Inc., USA)  
12:30 - 13:00 Forcefields and QM in Crystallographic Refinement Oliver Smart (EMBL-EBI)  
13:00 - 14:30 Lunch (including Lunchtime Bytes sessions)    
Session 7 - Application of protein-ligand complexes
14:30 - 15:00 Drug Design and Practice Colin Groom (Cambridge Crystallographic Data Centre)  
15:00 - 15:30 Neutron diffraction and in situ spectroscopy Peter Moody (University of Leicester)  
15:30 - 16:00 Compound Design by Combining Structural and Activity Data: OOMMPPAA Charlotte Deane (University of Oxford)  
16:00 - 16:30 Drug Discovery in Academia with CCP4 and GUI2 Martin Noble (University of Newcastle)