MOE Workshop Series

Europe

OXFORDSHIRE
April 10, 2018

Location: Milton Park Innovation Centre
99 Park Drive, Abingdon, Oxfordshire, OX14 4RY, United Kingdom
MAP


Registration

Title:
First Name: *
Last Name: *
Email: *
Job Title:
Organization: *
Business Type: *
Supervisor (academia only):
Country: *
Address: *
City: *
State/Province:
ZIP/Postal Code:
Phone: *

Comments:
  I would like to use my own laptop during the workshop(s).

* required field

Please check the session(s) that you would like to attend:

09:00 to 12:30 Antibody Modeling and Protein Engineering in MOE
12:30 to 13:30 Lunch
13:30 to 17:00 Small Molecule Virtual Screening

Your registration will be confirmed.



 Antibody Modeling and Protein Engineering in MOE
The course covers approaches for structure-based antibody design and includes protein-protein interactions analysis, in silico protein engineering, affinity modeling and antibody homology modeling. The interaction of a co-crystallized antibody-antigen complex will be studied by generating and examining the molecular surfaces and visualizing protein-protein interactions in 3D and 2D. Antibody properties will be evaluated using specialized calculated protein property descriptors and analyzing protein patches. The application of protein engineering tools for homology modeling and conducting property optimization of antibodies in the context of developability will be studied. Antibody optimization examples will include identification of glycosylation sites and analysis of correlated pairs using a specialized antibody database. An approach for humanizing antibody homology models will be discussed. All the steps necessary for producing and assessing antibody homology models will be described.

 Small Molecule Virtual Screening
The course covers the suite of MOE applications which can be applied to small-molecule virtual screening. Topics include the preparation of small molecule databases for virtual screening, filtering databases based on substructure matching and property values, building QSAR/QSPR models and fingerprint similarity models as database filters, pharmacophore query creation and searching, and small-molecule docking. These tools are used in conjunction to present a complete virtual screening workflow. The creation of de novo structures using the MOE Scaffold Replacement and MOE Medchem transformation applications is also covered.


For questions, please contact:
Raul Alvarez
Senior Marketing Manager