MOE Workshop Series

Europe

Chemical Computing Group is hosting the following hands-on Computer-Aided Drug Design workshops. The workshops are free but pre-registration is required. Early registration is recommended as space is limited. Computers will be provided. No previous MOE software experience is required to attend.

 BASEL February 06, 2019
Where Time Sessions
Hyperion Hotel*
MAP
08:30 to 09:00Morning Coffee
09:00 to 12:00Structure-Based Drug Design and Ligand Modification
Molecular Surfaces and Maps / Ligand Interactions / Conformational Searching / Ligand Optimization / Ligand Selectivity / Protein Alignments and Superposition
12:00 to 13:00Lunch
13:00 to 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
* Messeplatz 12, Basel, CH-4058, Switzerland

 BASEL February 07, 2019
Where Time Sessions
Hyperion Hotel*
MAP
08:30 to 09:00Morning Coffee
09:00 to 12:00Biologics: 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
12:00 to 13:00Lunch
13:00 to 16:00Antibody Modeling and Protein Engineering in MOE
Protein Engineering / Protein Properties / Developability / Hot Spot Analysis / Antibody Modeling / Humanization / Molecular Surfaces
* Messeplatz 12, Basel, CH-4058, Switzerland

 CAMBRIDGE March 14, 2019
Where Time Sessions
St Johns Innovation Centre*
MAP
08:30 to 09:00Morning Coffee
09:00 to 12:00Small Molecule Virtual Screening
MOE Databases / Descriptors / Fingerprints / QSPR Modeling / Pharmacophore Modeling / Template-Forced Docking / Scaffold Replacement / MedChem Transformations
12:00 to 13:00Lunch
13:00 to 16:00Antibody Modeling and Protein Engineering in MOE
Protein Engineering / Protein Properties / Developability / Hot Spot Analysis / Antibody Modeling / Humanization / Molecular Surfaces
* Cowley Road, Cambridge, CB4 0WS, United Kingdom

 LONDON April 23, 2019
Where Time Sessions
Novotel London West *
MAP
12:30 to 13:30Registration and Lunch
13:30 to 14:00Presentation: Computational Approaches for Optimizing the Developability of Biotherapeutics
14:00 to 17:00Workshops:
Modeling Antibody-Antigen Complexes
Opening, preparing and annotating protein complexes / Alignment and superposition / Homology modeling / Modeling and refinement of missing loops / Building a fusion protein / Identifying and removing glycosylation sites

Analyzing Antibody-Antigen Complexes
Analyzing protein contacts at Fab-antigen interface / Molecular surfaces and maps / Protein-protein docking

Structural Bioinformatics
Antibody Database and searching / Viewing antibody structure statistics

Property Prediction and Protein Engineering
Protein Descriptor and Property calculations / Patch Analyzer application / Virtual mutagenesis with Protein Builder & Design / Building humanized Fab models

(Refreshment Break: 15:15-15:45)
* 1 Shortlands, Hammersmith International Centre, Hammersmith, London, W6 8DR, United Kingdom
*Please note that this workshop is associated with the 12th Annual Proteins & Antibodies Congress, organised by Oxford Global, who are handling registration. Attendance at this conference is not required in order to attend this workshop.

 BERLIN June 10, 2019
Where Time Sessions
Maritim proArte Hotel *
MAP
12:30 to 13:30Registration and Lunch
13:30 to 14:00Presentation: Targeting Specific Interactions to Improve EGFR-Ligand Binding
14:00 to 15:15Structure-Based Drug Design and Ligand Modification
Molecular Surfaces and Maps / Ligand Interactions / Conformational Searching / Ligand Optimization / Ligand Selectivity / Protein Alignments and Superposition
15:15 to 15:45Refreshment Break
15:45 to 17:00Protein-Ligand Docking and SAR Analysis
Docking / Fragment-based Design / Scaffold Replacement / R-Group Screening / Project Search / Protein-Ligand Interaction Fingerprints / MOEsaic / MMP Analysis
* Friedrichstra├če 151, Berlin, 10117, Germany
* Please note that this workshop is associated with the 7th Annual Discovery Chemistry and Drug Design Congress, organised by Oxford Global, who are handling registration. Attendance at this conference is not required in order to attend this workshop.


 OXFORD November 19, 2018
Where Time Sessions
Jury's Inn Hotel*
MAP
08:30 to 09:00Morning Coffee
09:00 to 12:00Antibody Modeling and Protein Engineering in MOE
Protein Engineering / Protein Properties / Developability / Hot Spot Analysis / Antibody Modeling / Humanization / Molecular Surfaces
12:00 to 13:00Lunch
13:00 to 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
* Godstow Road, Oxford, OX2 8AL, United Kingdom

 BASEL October 16, 2018
Where Time Sessions
Hyperion Hotel*
MAP
08:30 to 09:00Morning Coffee
09:00 to 12:00Antibody Modeling and Protein Engineering in MOE
Protein Engineering / Protein Properties / Developability / Hot Spot Analysis / Antibody Modeling / Humanization / Molecular Surfaces
12:00 to 13:00Lunch
13:00 to 16:00Advanced Structure-Based Drug Design
Pharmacophore Modeling / Docking / Fragment-based Design / Scaffold Replacement / R-Group Screening / Project Search / Protein-Ligand Interaction Fingerprints
* Messeplatz 12, Basel, 4058, Switzerland

 CAMBRIDGE September 27, 2018
Where Time Sessions
Doubletree by Hilton Hotel*
MAP
08:00 to 08:30Morning Coffee
08:30 to 10:00Structure-Based Drug Design
Pharmacophore Modeling / Docking / Fragment-based Design / Scaffold Replacement / R-Group Screening / Project Search / Protein-Ligand Interaction Fingerprints
10:00 to 10:15Morning Break
10:15 to 11:00Interactive Ligand Modification in situ
presented by Lewis Vidler, Senior Research Scientist, Eli Lilly
11:00 to 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
* Granta Place, Mill Lane, Cambridge, CB2 1RT, United Kingdom
Note: This workshop forms part of the MedChem By Design symposium; the whole symposium is free to attend.

 BERLIN June 06, 2018
Where Time Sessions
Hotel Palace Berlin *
MAP
12:30 to 13:30Registration and Lunch
13:30 to 15:00Ligand-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
15:00 to 15:30Refreshment Break
15:30 to 17:00Structure-Based Drug Design
Pharmacophore Modeling / Docking / Fragment-based Design / Scaffold Replacement / R-Group Screening / Project Search / Protein-Ligand Interaction Fingerprints
* Budapesterstr. 45, Berlin, 10787, Germany
* Please note that this workshop is associated with the 6th Annual Discovery Chemistry and Drug Design Congress, organised by Oxford Global, who are handling registration. Attendance at this conference is not required in order to attend this workshop.

 NOORDWIJKERHOUT May 27, 2018
Where Time Sessions
NH Noordwijk Conference Centre Leeuwenhorst *
MAP
15:00 to 17:00Application of Matched Molecular Pairs to Interactive SAR Exploration
R-Group Profiles and Analysis / MOEsaic / MMP Analysis / Template-Forced Docking / Scaffold Replacement / MedChem Transformations
* Langelaan 3, Noordwijkerhout, 2211XT, Netherlands
* Please note that attendance at this workshop requires registration at the 11th International Conference on Chemical Structures, with which it is co-located.

 CAMBRIDGE March 15, 2018
Where Time Sessions
The Trinity Centre*
MAP
09:00 to 12:30Small Molecule Virtual Screening
MOE Databases / Descriptors / Fingerprints / QSPR Modeling / Pharmacophore Modeling / Template-Forced Docking / Scaffold Replacement / MedChem Transformations
12:30 to 13:30Lunch
13:30 to 17:00Cheminformatics and QSAR
MOE databases / Calculated Descriptors / Fingerprints / QSAR Modeling / Binary QSAR / Similarity Searching / Consensus Modeling
* 24 Cambridge Science Park, Milton Road, Cambridge, CB4 0FN, United Kingdom

 BASEL February 08, 2018
Where Time Sessions
Hyperion Hotel*
MAP
09:00 to 12:30Small Molecule Virtual Screening
MOE Databases / Descriptors / Fingerprints / QSPR Modeling / Pharmacophore Modeling / Template-Forced Docking / Scaffold Replacement / MedChem Transformations
12:30 to 13:30Lunch
13:30 to 17:00Ligand-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
* Messeplatz 12, Basel, CH-4058, Switzerland

 CAMBRIDGE December 08, 2017
Where Time Sessions
St Johns Innovation Centre*
MAP
09:00 to 12:30Ligand-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
12:30 to 13:30Lunch
13:30 to 17:00Peptide Modeling, Conformational Searching and Docking
Structure preparation / Non-natural amino acids / Conformational searching / Distance restraints / Peptide-protein docking / Protein-ligand interaction fingerprints
* Cowley Road, Cambridge, CB4 0WS, United Kingdom

 MANNHEIM November 23, 2017
Where Time Sessions
Dorint Kongresshotel Mannheim*
MAP
09:00 to 12:30Applications of Pharmacophores in Drug Design
Pharmacophore Modeling / Pharmacophore Elucidation and Consensus / Flexible Alignments / Pharmacophore Searching / Protein-Ligand Interaction Fingerprints (PLIF)
12:30 to 13:30Lunch
13:30 to 17:00Advanced Structure-Based Drug Design
Pharmacophore Modeling / Docking / Fragment-based Design / Scaffold Replacement / R-Group Screening / Project Search / Protein-Ligand Interaction Fingerprints
* Friedrichsring 6, Mannheim, 68161, Germany

 LONDON November 09, 2017
Where Time Sessions
University College London*
MAP
08:30 to 09:00Morning Coffee
09:00 to 12:00Fragment-Based Drug Design
Scaffold Replacement / Medicinal Chemistry Transformations / Fragment Linking / R-Group Screening / Ligand Growing / Pharmacophores / Fragment Databases
12:00 to 13:00Lunch
13:00 to 16:00Cheminformatics and QSAR
MOE databases / Calculated Descriptors / Fingerprints / QSAR Modeling / Binary QSAR / Similarity Searching / Consensus Modeling
* 20 Gordon St, London, Bloomsbury, WC1H 0AJ, United Kingdom
Complimentary continental breakfast and lunch will be provided.

 BASEL October 19, 2017
Where Time Sessions
Hyperion Hotel*
MAP
09:00 to 12:30X-Ray Crystallography: Structure Preparation, Electron Density and Solvent Analysis
Structure Preparation / Side-Chain Rotamer Exploration / Electron Density Maps / Solvent Analysis with 3D-RISM
12:30 to 13:30Lunch
13:30 to 17:00Peptide Modeling, Conformational Searching and Docking
Structure preparation / Non-natural amino acids / Conformational searching / Distance restraints / Peptide-protein docking / Protein-ligand interaction fingerprints
* Messeplatz 12, Basel, CH-4058, Switzerland

 BASEL October 18, 2017
Where Time Sessions
Hyperion Hotel*
MAP
09:00 to 12:30Structure-Based Drug Design and Ligand Modification
Molecular Surfaces and Maps / Ligand Interactions / Conformational Searching / Ligand Optimization / Ligand Selectivity / Protein Alignments and Superposition
12:30 to 13:30Lunch
13:30 to 17:00Applications of Pharmacophores in Drug Design
Pharmacophore Modeling / Pharmacophore Elucidation and Consensus / Flexible Alignments / Pharmacophore Searching / Protein-Ligand Interaction Fingerprints (PLIF)
* Messeplatz 12, Basel, CH-4058, Switzerland

 OXFORDSHIRE September 26, 2017
Where Time Sessions
Milton Park Innovation Centre*
MAP
09:00 to 12:30Structure-Based Drug Design and Ligand Modification
Molecular Surfaces and Maps / Ligand Interactions / Conformational Searching / Ligand Optimization / Ligand Selectivity / Protein Alignments and Superposition
12:30 to 13:30Lunch
13:30 to 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
* 99 Park Drive, Milton Park, Abingdon, OX14 4RY, United Kingdom


For questions, please contact:
Raul Alvarez
Senior Marketing Manager