Registration Fees
Before March 16, 2018
EUR 200.

After March 16, 2018
EUR 300.
The fees give attendees full access to all workshop training sessions, scientific presentations, meals and receptions.

Raul Alvarez
+1 514 393-1055

Steve Maginn
+44 1223 422320

UK Office:
St Johns Innovation Centre
Cowley Road,
Cambridge CB4 0WS
FAX: +44 1223 422318

UGM & Conference 2018

May 15-18, 2018  |   Basel, Switzerland  |  Radisson Blu Hotel

Chemical Computing Group is pleased to announce that the next European UGM & Conference will be held from May 15 to 18, 2018 at the Radisson Blu Hotel, Basel, Switzerland. Our annual scientific meeting is a 4-day event consisting of 2 days of workshops (May 15-16) and 2 days of scientific presentations (May 17-18), as well as plenty of opportunities to socialize during our receptions and conference dinner.

Registration is now open HERE.

  • Talk title to be announced
    Teresa Barata, Senior Scientist, Product Design & Characterisation, Neurology R&D, Ipsen Innovation
  • Targeting Ubiquitin Specific Proteases
    Oliver Barker, Computational Chemist, Almac Discovery
  • Tackling the conformational sampling of larger flexible compounds and macrocycles in pharmacology and drug discovery
    Ijen Chen, Principal Scientist, Vernalis plc
  • Experimental free ligand conformation: the missing link in Structure Based Drug Design
    Elisabetta Chiarparin, Associate Director, Oncology Chemistry, AstraZeneca
  • Uncovering cryptic pockets using a condensed mixed-solvent MD approach
    Ewa Chudyk, Research Scientist I, Vertex Pharmaceuticals (Europe) Ltd.
  • In silico generation of novel, drug-like chemical matter using the LSTM deep neural network
    Peter Ertl, Director, Cheminformatics, Novartis
  • Design and biochemical characterization of highly selective macrocyclic serine protease inhibitors
    Frank Otto Gombert, Managing Director, GPRS – Gombert Pharma Research Solutions
  • Prediction of Protein-Protein Binding Sites and Epitope Mapping 
    John Gunn, Senior Research Scientist, Chemical Computing Group
  • Bioactive focus in conformational ensembles: a pluralistic approach
    Matthew Habgood, Senior Computational Chemist, Evotec
  • Multiscale methods framework of self-consistent coupling of molecular theory of solvation with QC, multi time step MD, and DPD: Integration in Molecular Operating Environment drug discovery software package
    Andriy Kovalenko, Senior Research Officer and Adjunct Professor, National Institute for Nanotechnology, University of Alberta
  • mmpdb - A MMP tool for large ADMET datasets
    Christian Kramer, Senior Scientist, F. Hoffmann-La Roche
  • Agrochemicals versus Drugs: What are differences and similarities in chemical space and implications for the design?
    Torsten Luksch, Senior Computational Chemist, Syngenta
  • Computational Biology at Quantum level
    Iñaki Morao, Senior Principal Scientist, Evotec
  • Critical impact of a water-network in the design of protein-protein interaction inhibitors
    Ekaterina Ratkova, Computational Chemist, AstraZeneca
  • Structure-Based Design of B-Cell Lymphoma 6 (BCL6) Binders: The Journey To 100,000-fold Affinity Improvement
    Graeme Robb, Senior Computational Chemist, AstraZeneca
  • AI supported de novo design
    Gisbert Schneider, Professor, Institute of Pharmaceutical Sciences, ETH Zürich
  • Effect of charge and conformation on enrichment of DUD-E targets
    Jerome Wicker, Cheminformatician, Oxford Drug Design
  • Benchmark Data Sets for Assessment of Docking Performance
    Björn Windshügel, Head of Structure-Based Drug Design, Fraunhofer Institut für Molekularbiologie und Angewandte Ökologie IME
  • Factors influencing the usefulness of MM/GBSA in ligand ranking
    Romain Wolf, Investigator III, Novartis
Previous Agenda - UGM 2017
TUESDAY, May 15 - WorkshopsDAY 1
11:00Registration Open
13:30-17:00Peptide Modeling, Conformational Searching and Docking
Structure preparation / Non-natural amino acids / Conformational searching / Distance restraints / Peptide-protein docking / Protein-ligand interaction fingerprints
13:30-17:00Introduction to SVL

WEDNESDAY, May 16 - Workshops & Poster SessionDAY 2
09:00-12:30Structure-Based Drug Design
Pharmacophore Modeling / Docking / Fragment-based Design / Scaffold Replacement / R-Group Screening / Project Search / Protein-Ligand Interaction Fingerprints
09:00-12:30Protein Alignments, Superpositions, Homology Modeling and Loop Modeling
Homology modeling / Loop Modeling / Loop Conformational Searching / Sequence Alignments / Structure Superposition / Multimer alignments and superpositions
13:30-17:00Small Molecule Virtual Screening
MOE Databases / Descriptors / Fingerprints / QSPR Modeling / Pharmacophore Modeling / Template-Forced Docking / Scaffold Replacement / MedChem Transformations
13:30-17:00Antibody Modeling and Protein Engineering in MOE
Protein Engineering / Protein Properties / Developability / Hot Spot Analysis / Antibody Modeling / Humanization / Molecular Surfaces
18:30-20:30Opening Reception & Poster Session

THURSDAY, May 17 - Scientific PresentationsDAY 3
08:30-17:00Scientific Presentations
19:00-22:00Conference Dinner at Restaurant Safran-Zunft

FRIDAY, May 18 - Scientific PresentationsDAY 4
08:30-15:30Scientific Presentations
15:30-17:00Closing Reception

Poster submission is now open on the registration page HERE. Presenters of accepted posters will receive a 25% discount on early / regular registration.

There will be a number of hands-on MOE workshops on various application areas on May 15 (afternoon) and 16 (morning and afternoon). Workshops will be held at the Radisson Blu Hotel. Course titles are shown above in the Preliminary Agenda.

Before March 16, 2018, conference fees are EUR 200, rising to EUR 300 after this date. Registration provides attendees with full access to all workshop sessions, scientific presentations, meals and social functions. Attendees presenting an accepted poster or oral presentation will receive a 25% discount on early / regular registration.

If you would be interested in presenting a talk, or have any questions about the UGM and Conference, please contact Steve Maginn at and Raul Alvarez at .

We look forward to welcoming you to Basel this coming May!