This UGM has completed

Registration Fees
Before March 17th, 2017
EUR 200.

After March 17th, 2017
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 2017

May 16-19, 2017  |   Copenhagen, Denmark  |  Tivoli Hotel and Congress Center  |  #UGM2017EU

Submit Your Poster
Accepted posters will receive a 25% discount on registration fees
April 10th, 2017

Chemical Computing Group is pleased to announce that the next European UGM & Conference will be held from May 16th to 19th, 2017 at the Tivoli Hotel and Congress Center in central Copenhagen, Denmark. Our annual scientific meeting is a 4-day event consisting of 2 days of workshops (May 16-17) and 2 days of scientific presentations (May 18-19), as well as plenty of opportunities to socialize during our receptions and conference dinner. Please note that space is limited so early registration is recommended.

TUESDAY, May 16 - WorkshopsDAY 1
12:00Registration Opens
13:30-17:00Introduction to SVL
SVL Concepts / Scripts for Moe/Batch / Test New Ideas/Hypotheses / Customize MOE / Programming Techniques / Window Toolkit / Descriptors and Fingerprints / Interactive Problem Solving
13:30-17:00X-Ray Crystallography: Structure Preparation, Electron Density and Solvent Analysis
Structure Preparation / Side-Chain Rotamer Exploration / Electron Density Maps / Solvent Analysis with 3D-RISM

WEDNESDAY, May 17 - Workshops & Poster SessionDAY 2
09:00-12:00Ligand-Based Drug Design and SAR Analysis
R-Group Profiles and Analysis / MOEsaic / MMP Analysis / Descriptor Calculations / Conformational Searching / Molecular Alignments / Pharmacophore Modeling and Searching / Diversity Analysis
09:00-12:00Antibody Modeling and Protein Engineering in MOE
Protein Engineering / Protein Properties / Developability / Hot Spot Analysis / Antibody Modeling / Humanization / Molecular Surfaces
13:30-17:00Advanced Structure-Based Drug Design
Pharmacophore Modeling / Docking / Fragment-based Design / Scaffold Replacement / R-Group Screening / Project Search / Protein-Ligand Interaction Fingerprints
13:30-17:00Biologics: Protein Alignments, Modeling and Docking
Protein Alignments and Superposition / Loop and Linker Modeling / Homology Modeling / Protein- Protein Docking / Protein Solubility Analysis / 2D Hot Spot Mapping / PLIF / Biologics QSAR Modeling
18:30-20:30Opening Reception & Poster Session

THURSDAY, May 18 - Scientific PresentationsDAY 3
08:00-08:20Morning Coffee
08:20-08:30Opening Remarks
08:30-09:00Molecular Design in Drug Discovery: Applications and Challenges
Karl-Heinz Baringhaus, Site Director R&D Frankfurt, Sanofi Deutschland GmbH
09:00-09:30Fragment Based Discovery – Opportunities for computational chemistry and cheminformatics
Rod Hubbard, Professor, Department of Chemistry, University of York and Vernalis plc
09:30-10:00CADD Impact on Drug Discovery Projects: Examples from Roche
Jérôme Hert, Section Head, Computer-Aided Drug Design, F. Hoffmann-La Roche
10:00-10:30Morning Break
10:30-11:00Network Pharmacology Based Modelling: Application to the Discovery of Novel Drug Leads
Ben Allen, Senior Computational Research Scientist, e-Therapeutics plc
11:00-11:30Systems Pharmacology based CNS Drug Discovery – Computational Aspects
Peder Svensson, Director, Computational Chemistry and Biology, CIO, Integrative Research Laboratories Sweden AB
11:30-12:00The Medicinal Chemistry Toolkit IPAD app - A computational tool to support good translational science in projects
Andy Davis, Project Director, AstraZeneca R&D, Sweden
12:00-12:30Protein engineering of Neuregulin 1 to achieve receptor selectivity
Yafeng Xue, Senior Scientist, AstraZeneca R&D, Sweden
12:30-14:00Lunch Break
14:00-14:30Integrating novel tools into development workflow of biologics: nanoDSF and MST for Discovery, Development and QC
Alexey Rak, Head of Bio Structure and Biophysics, Integrated Drug Discovery, Sanofi R&D
14:30-15:00Applying MD in PPI Drug Discovery
Mike King, Senior Group Leader, CADD, UCB Pharma
15:00-15:30Protein Surface Charge and Hydrophobic Patch Analysis
Elizabeth Sourial, Executive Vice President, Chemical Computing Group
15:30-16:00Afternoon Break
16:00-16:30Engineering ImmTAC molecules- crossreactivity in a MAGE A3 specific TCR
Stephen Harper, Senior Scientist, Immunocore Ltd.
16:30-17:00Structural approaches to critical quality attributes assessment
Cristina Sensi, Scientific Assessment Specialist, Merck Serono S.p.A.
17:00-17:30In silico molecular risk profiling of biopharmaceuticals during early stage drug discovery
Alan Lewis, Scientific Leader and GSK Fellow, GlaxoSmithKline
18:30-22:00Drinks Reception and Conference Dinner, at the National Museum of Denmark

FRIDAY, May 19 - Scientific PresentationsDAY 4
08:30-09:00Morning Coffee
09:00-09:30Inhibitors of the Herbicidal Target IspD: Halogen Bonding in an Allosteric Pocket
Matthias Witschel, Principal Scientist, BASF SE
09:30-10:00Exploring Molecular Dynamics Simulations of Membranes in Drug Discovery
Jose Duca, Global Head of Computer-Aided Drug Discovery, Novartis
10:00-10:30From building block identification to reaction space exploration: novel tools to make the most out of chemical reactions
Nikolaus Stiefl, Senior Investigator, Novartis
10:30-11:00Morning Break
11:00-11:30Predicting Ligand-Protein Binding Affinities with the MOE MM/GBVI Method
Grace Edmund, Computational Chemist, InhibOx
11:30-12:00Benchmark Data Sets for Assessment of Docking Performance
Björn Windshügel, Head of Structure-Based Drug Design, Fraunhofer Institute for Molecular Biology and Applied Ecology IME
12:00-12:30MOEsaic: Application of Matched Molecular Pairs to Interactive SAR Exploration
Andrew Henry, Principal Scientist, Chemical Computing Group
12:30-14:00Lunch Break
14:00-14:30Using MOE to drive rapid development of dynamic undocking as a tool for drug discovery
Peter Schmidtke, Scientific Project Manager, Discngine
14:30-15:00Design and synthesis of subtype-selective agonists for metabotropic glutamate receptors
Lennart Bunch, Associate Professor, University of Copenhagen
15:00-15:30Comparison of methods for in silico generation of solution-phase conformational ensembles
Matthew Habgood, Senior Computational Chemist, Evotec (UK) Ltd.
15:30-15:45Closing Remarks
15:45-17:00Closing Reception

There will be a number of complimentary hands-on workshops on MOE, for computational chemists, medicinal chemists, and for biological therapeutics, on May 16th (afternoon) & May 17th (morning & afternoon). Workshops will be held at the Tivoli Hotel and Congress Center. See above for details.

We are accepting abstracts for posters. If you are interested in presenting a poster during the meeting, please include your poster title and abstract on your registration form. Poster presenters will receive a 25% discount on the early/regular registration fee. Poster viewing will be scheduled on Wednesday evening (May 17), during the opening reception.

Deadline for poster submission is April 10th, 2017.

There will be 3 main social functions during the UGM & Conference 2017. An opening reception with posters on Wednesday evening (May 17), a conference drinks reception and dinner at the National Museum of Denmark on the evening of Thursday (May 18) and a closing reception on Friday afternoon (May 19).

Accommodation and travel arrangements are the responsibility of attendees. Copenhagen is a very popular destination for tourists and business people alike and therefore hosts a good range of accommodation options.

The official conference hotel is Tivoli Hotel and Congress Center. A 10% discount on standard accommodation rates at the Tivoli is available for attendees at the UGM & Conference; information about this will be provided with confirmation of registration.

Conference fees are EUR 200 before March 17th, 2017 - EUR 300 thereafter. The fees give attendees full access to all workshop sessions, scientific presentations, meals* and social functions. Attendees presenting an accepted poster will receive a 25% discount on early/regular registration.

* May 16: afternoon refreshments | May 17: morning/afternoon refreshments, lunch and canapés during the opening reception | May 18: morning/afternoon refreshments, lunch and conference dinner | May 19: morning/afternoon refreshments and lunch.