Registration

REGISTER NOW!





Registration Fees
Before March 22, 2019
GBP 180.

After March 22, 2019
GBP 280.
The fees give attendees full access to all workshop training sessions, scientific presentations, meals and receptions.


Contacts
Steve Maginn
+44 1223 422320


Raul Alvarez
+1 514 393-1055

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

UGM & Conference 2019
Europe

May 21-24, 2019  |   Oxford, UK  |  University of Oxford and Macdonald Randolph Hotel


Chemical Computing Group is pleased to announce that the next CCG European UGM and Conference will take place May 21-24 in Oxford, UK.

REGISTRATION is now open.

Our annual scientific meeting will be a 4-day event, consisting of workshops, scientific presentations, and a poster session as well as social activities including receptions and a conference dinner. The scientific presentations will take place on May 23-24 at the Macdonald Randolph Hotel, Oxford.

If you are interested in presenting a poster during the meeting, please include your poster title and abstract on your registration form. Presenters of accepted posters will receive a 25% discount on early / regular registration.

TUESDAY, May 21 - WorkshopsDAY 1
11:00Registration Open
13:00-16:00Protein Alignments, Superpositions, Homology Modeling and Loop Modeling
Homology modeling / Loop Modeling / Loop Conformational Searching / Sequence Alignments / Structure Superposition / Multimer alignments and superpositions
13:00-16:00Introduction to SVL
SVL Concepts / Scripts for Moe/Batch / Test New Ideas/Hypotheses / Customize MOE / Programming Techniques / Window Toolkit / Descriptors and Fingerprints / Interactive Problem Solving

WEDNESDAY, May 22 - Workshops & Poster SessionDAY 2
09:00-12:00Antibody Modeling and Protein Engineering in MOE
Protein Engineering / Protein Properties / Developability / Hot Spot Analysis / Antibody Modeling / Humanization / Molecular Surfaces
09:00-12:00Advanced Structure-Based Drug Design
Pharmacophore Modeling / Docking / Fragment-based Design / Scaffold Replacement / R-Group Screening / Project Search / Protein-Ligand Interaction Fingerprints
12:00-13:00Lunch
13:00-16:00Biologics: 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
13:00-16:00Ligand-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
18:30-20:30Opening Reception & Poster Session
21:00-22:30Oxford Ghost Walk, departing from the Macdonald Randolph Hotel (optional)

THURSDAY, May 23 - Scientific PresentationsDAY 3
08:00-08:20Morning Coffee
08:20-08:30Opening Remarks
08:30-09:00Speaker to be announced
09:00-09:30Computational approaches for target prediction in drug discovery
Andrew Anighoro, Senior Scientist Research Informatics, Evotec (UK)
09:30-10:00In-silico fragment screening and hit-ID for PPI targets
Ben Cossins, Principal Scientist, UCB
10:00-10:30Morning Break
10:30-11:00Computer-aided design of macrocycles for the treatment of Hepatocellular Carcinoma
Mike Mazanetz, Director, NovaData Solutions
11:00-11:30Tryptophan Oxidation of Monoclonal Antibodies: Oxidative Stress and Modeling Prediction
Li Xiao, Associate Principal Scientist, Merck Research Laboratory
11:30-12:00Computational Approaches for Optimizing the Developability of Biotherapeutics 
Speaker to be announced, Chemical Computing Group
12:00-13:30Lunch Break
13:30-14:00Computational tools for prediction and ranking of manufacturability for antibodies
Olga Obrezanova, Senior Principal Scientist, Lonza Biologics plc
14:00-14:30Developability Assessment of Biotherapeutics
Sid Sridharan, Lead Scientist, Lonza Biologics plc
14:30-15:00Platformization of Multi-Specific Protein Engineering: In silico Support for High-Throughput Screening 
Norbert Furtmann, Head of Data Lab, Sanofi Deutschland GmbH
15:00-15:30Afternoon Break
15:30-16:00Science Fiction or Thriller: ‘Virtual screening’ in formulation development 
Martin Hülsmeyer, Principal Research Scientist, AbbVie Deutschland
Axel Wilbertz, PhD student, AbbVie Deutschland
16:00-16:30Talk title to be announced
Catriona McMurran, Research Scientist, Immunocore
16:30-17:00Understanding aggregation in biotherapeutics and human proteins: Insights from molecular simulations, data analyses and machine learning
Sandeep Kumar, Senior Research Fellow – Biotherapeutics, Boehringer Ingelheim
19:00-22:00Conference Dinner at the Oxford University Museum of Natural History 

FRIDAY, May 24 - Scientific PresentationsDAY 4
08:30-09:00Morning Coffee
09:00-09:30Exploring water and hydration sites in structure-based design
Hans Matter, Senior Scientist, Sanofi-Aventis Deutschland GmbH
09:30-10:00Hydration sites analysis with 3D RISM: tips and tricks 
Ekaterina Ratkova, Computational Chemist, AstraZeneca (Sweden)
10:00-10:30Molecular dynamics search of cryptic pockets for allosteric modulation
Martin Kotev, Senior Scientist Research Informatics, Evotec (France)
10:30-11:00Morning Break
11:00-11:30Rational design of a new ATR kinase inhibitor: VX-970/M6620 
Ronald Knegtel, Research Fellow / Molecular Modelling, Vertex Pharmaceuticals (Europe) Ltd.
11:30-12:00Speaker to be announced
12:00-12:30Structure-Based Predictions of CYP Selectivity, Reactivity, and Regioselectivity 
Michael Drummond, Scientific Applications Manager, Chemical Computing Group
12:30-14:00Lunch Break
14:00-14:30Creating a virtual assistant for medicinal chemistry 
Lewis Vidler, Senior Research Scientist, Eli Lilly and Company
14:30-15:00Design of leucyl tRNA synthetase inhibitors as a novel class of antibiotics for Gram-negative infections
Michael Charlton, Head of Drug Discovery, Oxford Drug Design
15:00-15:30Using Chemical and Biological Information in Drug Design - From Identifying Multi-Target Ligands to Understanding Compound Mode of Action
Andreas Bender, Reader in Molecular Informatics, Dept of Chemistry, University of Cambridge
15:30-15:45Closing Remarks
15:45-17:00Closing Reception

There will be a number of hands-on MOE workshops on various application areas on May 21-22. Please note that the workshops sessions will be held at the Saïd Business School of Oxford University.

Before March 22, 2019, conference fees are GBP 180, rising to GBP 280 after this date. Registration provides attendees with 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.

If you would be interested in presenting a talk or a poster, please contact
Steve Maginn at .


We look forward to welcoming you in Oxford this coming May!