7th – 9th January 2025
Diamond User meeting
11:00-11:30
11:30 – 11:45
11:45 – 12:00
12:00 – 13:00
Lunch Break
13:00 – 13:30
13:50 – 14:10
14:10 – 14:30
14:30 – 15:00
Coffee break
15:00 – 15:20
15:20 – 15:35
15:35 – 15:50
15:50 – 16:05
16:05 – 16:30
DUC Discussion
David Briggs, Colin Levy
The Francis Crick Institute / University of Manchester
16:30 – 17:30
Break
16:30 – 17:30
CCP4 WG1 meeting
16:30 – 17:30
Virtual Lunchtime Bytes
Session 1
17:30 – 18:20
Applying several methods to understand FeS metalloproteins
Yvain Nicolet
Institut de Biologie Structurale, FRANCE
18:15 – 19:00
"Skill Mismatch: Are We Training Structural Biologists for Jobs That Won’t Exist?" – round table discussion
Robbie Joosten (Chair)
Netherlands Cancer Institute, NETHERLANDS
19:00 – 21:00
Networking event including street food and poster session
What's new in CCP4?
09:00 – 09:10
What's new in CCP4?
Ville Uski
UKRI-STFC CCP4, UK
09:10 – 09:35
09:35 – 10:00
10:00 – 10:30
10:30 – 11:00
Break
Session 2
Demystifying the black box – new features and old tricks to use software efficiently.
11:00 – 11:30
11:30 – 12:00
Solve your structure with MR at warp speed.
Airlie McCoy
Cambridge Institute for Medical Research, UK
12:00 – 12:30
12:30 – 14:00
Lunch
13:00 – 14:00
Lunchtime Bytes – In person only
Session 3
Using prior knowledge to improve and validate models.
14:00 – 14:30
14:30 – 15:00
15:00 – 15:30
Reconstructing Biological Molecules with Help from Video Gamers
Robbie Joosten, Scott Horowitz
Netherlands Cancer Institute, NETHERLANDS / University of Denver, USA
Session 4
AI in structural biology I: Predicted models and how to use them.
16:00 – 16:30
Current state-of-the-art in protein structure prediction
Eva Smorodina
University of Oslo, Norway
16:30 – 17:00
AlphaFold 3: innovations and new features
Oleg Kovalevskiy
Google Deepmind, UK
17:00 – 17:30
Recent advances and limitations of RNA 3D structure prediction
Clement Bernard
Université Paris Saclay, FRANCE
17:30 – 19:00
Break
19:00 – 00:00
Conference Dinner + social including Ceilidh and Board Games café
Session 5
AI in structural biology II: Other applications.
09:00 – 09:30
CheckMyBlob – detect and validate ligands with ML
Wladek Minor
University of Virginia School of Medicine, USA
09:30 – 10:00
10:00 – 10:30
10:30 – 11:00
Break
Session 6
Dynamics
11:00 – 11:30
Combining MD simulations of protein crystals with conventional modeling and refinement
Michael Wall
Los Alamos National Laboratory, USA
11:30 – 12:00
12:00 – 12:30
Mathematically deriving protein flexibility for single protein structures
Virginia Apostolopoulou
Center for free electron lasers, GERMANY
12:30 – 13:00
Lunch
13:00 – 14:00
Lunchtime Bytes – In person only
Session 7
More ways to characterize your sample.
14:00 – 14:25
14:25 – 14:50
Placing low-occupancy fragments using the anomalous signal of sulfur and halogen atoms
Shumeng Ma
Yale University, USA
14:50 – 15:15
Neutron crystallography for life sciences
Zoe Fisher
European Spallation Source, SWEDEN
15:15 – 15:40
Combining crystallography with quantum mechanics
Ulf Ryde
Lund University, SWEDEN
