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Computational Approaches to G Protein-Coupled Receptor Structure and Function

Tuesday April 24, 2018

3:30 pm - 6:00 pm Eastern Time (ET)

Room 17A

CVP DDD MP NEU 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.

Speakers

Jonathan Mason - Heptares Therapeutics Ltd

X-Ray Structures of GPCRs Provide Insights into New Binding Sites for Drug Discovery

Ron Dror - Stanford University 

Molecular Simulation and Machine Learning for the Design of Finely Tuned Drugs

Irina Tikhonova - Queen's University Belfast

The Role of Dynamic Conformational Ensembles in GPCR Function

Chris de Graaf - VU University Amsterdam

Computational Medicinal Chemistry Approaches to GPCR Drug Discovery

Marc von Zastrow - University of California, San Francisco

Probing GPCR Cell Biology by Quantitative Proteomics

Panel Discussion