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Computational Approaches to G Protein-Coupled Receptor Structure and Function

Tuesday April 24, 2018

3:30 pm - 6:00 pm

Room 17A
Sponsored by the Division for Drug Discovery and Development (DDD)
Co-sponsored by the Division for Cardiovascular Pharmacology (CVP)
Co-sponsored by the Division for Molecular Pharmacology (MP)
Co-sponsored by the Division for Neuropharmacology (NEU)
Co-sponsored by the Division for Pharmacology Education (DPE)

Chair :

Alexandra Conibear
University of Bristol

Eamonn Kelly
University of Bristol

Sponsored by British Pharmacological Society (BPS)

This symposium aims to showcase how advanced computing can be used to understand GPCR structure and function and so the development of novel drugs. GPCRs play diverse roles in biological processes and are linked to a wide range of disease areas. As our understanding of GPCRs increases through use of techniques such as X-ray crystallography and molecular dynamics simulations, the complexity of the drug development process also increases. A major thrust of the symposium is to explain these techniques in a user-friendly manner such that they can be considered as a realistic option for today’s experimental pharmacologist.

X-Ray Structures of GPCRs Provide Insights into New Binding Sites for Drug Discovery
Jonathan Mason - Heptares Therapeutics Ltd

Molecular Simulation and Machine Learning for the Design of Finely Tuned Drugs
Ron Dror - Stanford University 

The Role of Dynamic Conformational Ensembles in GPCR Function
Irina Tikhonova - Queen's University Belfast

Computational Medicinal Chemistry Approaches to GPCR Drug Discovery
Chris de Graaf - VU University Amsterdam

Probing GPCR Cell Biology by Quantitative Proteomics
Marc von Zastrow - University of California, San Francisco

Panel Discussion

Thank you to our Annual Meeting partners:

University of Florida
Wake Forest University
Washington State University College of Pharmacy and Pharmaceutical Sciences
University of Wisconsin Molecular and Cellular Pharmacology Training Program
UT Health San Antonio
University of Minnesota

Emory University Pharmacology

PR & P
University of Michigan Medical School Pharmacology