7th – 9th January 2026
Diamond User meeting
Recording 1 – Jan 7th Diamond User Meeting AM
11:00-11:05
Welcome by DUC representatives
Colin Levy – University of Manchester (UK), Sam Horrell – Imperial College London (UK)
11:05 – 11:25
Challenging Samples
Carine De Marcos Lousa (University of Leeds, UK) and Vincent Postis (University of Leeds, UK)
11:25 – 11:45
Small Crystals
Stella Sultan
University of Birmingham, UK
11:45 – 12:05
Proteins in Motion
Sasha Stead
University of Oxford, UK
12:05 – 12:20
Flash beamline updates: i24/VMXm/XFEL Hub
Do-Heon Gu – Diamond Light Source (UK), Anna Warren – Diamond Light Source (UK), Abbey Telfer – Diamond Light Source (UK)
12:20 – 13:10
Lunch
Recording 2 – Jan 7th Diamond User Meeting PM
13:10 – 13:30
Focusing on the Science
Sofia Caria
Evotec, UK
13:30 – 13:50
The Diamond MX Pipeline
Jannik Wiebe
Institute of Cancer Research, UK
13:50 – 14:10
Element identification
Isabel Elliott
University of Southampton, UK
14:10 – 14:25
Flash beamline Updates: I23/I04/VMXi
Kamel El Omari – Diamond Light Source (UK), Ralf Flaig – Diamond Light Source (UK), Mike Hough – Diamond Light Source (UK)
14:25 – 14:50
Coffee break
14:50 – 15:10
Making the most of the green ticks
Nicholas Devenish
Diamond Light Source, UK
Recording 3 – Jan 7th Diamond User Meeting PM
15:10 – 15:15
Flash Beamline updates: Xchem
Blake Balcomb – Diamond Light Source (UK)
15:15 – 15:25
Training Opportunities
Adam Crawshaw
Diamond Light Source, UK
15:25 – 15:35
General MX update
Dave Hall
Diamond Light Source, UK
15:35 – 16:00
DUC Discussion
Colin Levy – University of Manchester (UK), Sam Horrell – Imperial College London (UK)
16:00 – 17:30
Break
16:00 – 17:30
CCP4 WG1 meeting
Session 1
Recording 4 – CCP4 Session 1
17:30 – 18:15
Key note talk – Emerging opportunities and challenges in target-directed cancer drug discovery
Rob van Montfort
The Institute of Cancer Research, UK
18:15 – 19:00
"Experimental protein-ligand determination in the age of AF" – round table discussion
Dave Brown (Chair) – Vertex (UK), Maria Kadukova – Astex, Pharmaceuticals (UK), Cha-Wa Chung – GSK (UK), Frank von Delft – Diamond Light Source (UK)
19:00 – 23:00
Networking event including street food and poster session
What's new in CCP4?
Recording 1 – Jan 8th CCP4 AM
09:00 – 09:15
What's new in CCP4?
Ville Uski
UKRI-STFC CCP4, UK
09:15 – 09:25
DRIIMB – Integrated structural biology as a collaboration between CCPs
Ivo Tews
University of Southampton, UK
09:25 – 09:50
Applications of new methods to automatically cluster multi-crystal datasets
Amy Thompson
Diamond Light Source, UK
09:50 – 10:10
Automated nucleic acid model building with NucleoFind and ModelCraft
Jordan Dialpuri
University of York, UK
10:10 – 10:30
New tools for sequence identification and model correction in CCP4
Grzegorz Chojnowski
ALLOX, SPAIN
10:30 – 11:00
Break
Session 2
Innovative Approaches to Structure-based Drug Design
Recording 2 – Jan 8th CCP4 AM
11:00 – 11:30
De Novo Protein Design for Drug Discovery
Natalie Tatum
Newcastle University, UK
11:30 – 12:00
Navigating Interactions for Drug Discovery: All ligands great and small (and the in-between macrocycles)
Seth Harris
Genentech, USA
12:00 – 12:30
Leveraging structural biology to drive innovation in epitope mapping and accelerate the rational design of novel Bicycle molecules at Bicycle Therapeutics
Gustavo Bezerra
Bicycle Therapeutics, UK
12:30 – 14:00
Lunch
Lunchtime Bytes – In person only
13:00 – 14:00
DNATCO: Base-Pair and Geometry Validation for Nucleic Acid Structures
Jiří Černý
Institute of Biotechnology of the Czech Academy of Sciences, Czechia
13:00 – 14:00
Servalcat and MetalCoord: refinement of structures with metal sites in CCP4i2
Martin Malý
UKRI MRC-LMB, UK
13:00-14:00
Automated model building of proteins and nucleic acids with ModelCraft and NucleoFind
Paul Bond and Jordan S Dialpuri
University of York, UK
13:00-14:00
Diamond in a Lunchbox: A User’s Quick-Start Guide
Marco Mazzorana
Diamond Light Source, UK
13:00-14:00
DRIIMB – Integrated structural biology as a collaboration between CCPs
Geerten W. Vuister – CCPN (University of Leicester, UK), Hima Bindu Kolli – STFC,UKRI CoSeC(CCPN), Robert Welch (UKRI-STFC CCPBioSim)
University of Leicester, UK
13:00-14:00
Coot: Refinement and Ligands
Eta Isiorho (CUNY ASRC, USA) and Paul Emsley (UKRI MRC-LMB, UK)
13:00-14:00
Learning the ropes: protein conformational analysis with RoPE
Helen Ginn
DESY, GERMANY
13:00-14:00
Cloud à la Carte: Data Transfers with DataLink and Globus
Jools Wills
UKRI-STFC CCP4, UK
Session 3
Advanced Methods for Ligand Analysis: From Quantum Mechanics to Molecular Dynamics
Recording 3 – Jan 8th CCP4 PM
14:00 – 14:30
Quantum methods for ligand analysis – Novel tool for ligand analysis by using QM calculations
Filipe Menezes
Helmholtz Centre Munich, GERMANY
14:30 – 15:00
Emerging methods for ligand validation
Dorothee Liebschner
Lawrence Berkeley National Laboratory, USA
15:00 – 15:30
Molecular dynamics for ligand binding
Phil Biggin
University of Oxford, UK
15:30 – 16:00
Break
Session 4
High throughput Crystallography for Ligand Design
Recording 4 – Jan 8th CCP4 PM
16:00 – 16:30
Fragment screening in drug discovery
Ailsa Powell
Diamond Light Source, UK
16:30 – 17:00
Novel screening and deep learning methods for identifying novel protein ligands in the HT-crystallography era
Daniela Trivella
LNBio, BRAZIL
17:00 – 17:30
Serial crystallography in drug discovery
Gisela Bränden
University of Gothenburg, SWEDEN
17:30 – 18:00
Multiple datasets and ligand
Nicholas Pearce
Linkoping University, SWEDEN
18:00 – 19:00
Break
19:00 – 00:00
Conference Dinner + social including Ceilidh, Board Games café and Dance mat Video Games
Session 5
Challenges in Ligand analysis and Validation
09:00 – 09:30
FoXSight: A Novel Tool for Facilitated Hit Identification in Crystallographic Compound Screening Experiments
Thorben Schulze
University of Hamburg, GERMANY
09:30 – 10:00
How to confidently place fragments into difficult-to-fit electron density
Frank Kozielski
University College London, UK
10:00 – 10:30
Crystallographic screening and conformational landscapes
Doeke Hekstra
Harvard University, USA
10:30 – 11:00
Break
Session 6
AI in Drug Discovery
11:00 – 11:30
OpenBind: Unlocking Protein-Ligand Binding Prediction
Fergus Imrie
University of Oxford, UK
11:30 – 12:00
Predicting protein/ligand interactions with RF3
Frank DiMaio
University of Washington, USA
12:00 – 12:30
Application of AI for covalent inhibitors screening
Nir London
Weizmann Institute of Science, ISRAEL
12:30 – 13:00
Lunch
Lunchtime Bytes – In person only
13:00 – 14:00
Cryo-EM data processing in CCP-EM Doppio
Tom Burnley (UKRI-STFC CCP-EM, UK), Colin Palmer UKRI-STFC CCP-EM, UK
13:00 – 14:00
Running Dials commands the easy way, with Dui2
Luis Fuentes-Montero (Diamond Light Source, UK) , David Waterman (UKRI-STFC CCP4, UK)
13:00 – 14:00
Clustering 101: Understanding, using, and interpreting the algorithms available in DIALS
Amy Thompson
Diamond Light Source, UK
13:00 – 14:00
CCP4i2
Paul Bond
University of York, UK
13:00 – 14:00
Glycan validation with Privateer
Lucy Schofield (University of York, UK) and Jon Agirre (University of York, UK)
13:00 – 14:00
Moorhen: Refinement and Depictions
Clement Degut (University of York, UK) and Paul Emsley (UKRI MRC-LMB, UK)
13:00 – 14:00
ABCFold: easier running and comparison of AlphaFold 3, Boltz-1, and Chai-1
Adam Simpkin
University of Liverpool, UK
Session 7
Next-Generation Ligand Workflows: From Fragment Design to Deposition
14:00 – 14:30
PDBe-KB Ligands: An aggregated view of ligands in the PDB
Ibrahim Roshan Kunnakkattu
PDBe, UK
14:30 – 15:00
Industry perspectives on large-scale data
Gustavo Lima
Astex Pharmaceuticals, UK
15:00 – 15:30
How could the mmCIF format be used to deposit fragment screening data into the PDB?
Melanie Oelker
Helmholtz-Zentrum Berlin, GERMANY
15:30 – 16:00
Round up and close
Scientific Organisers
