Dynamic Structural Basis for Allosteric Modulation and Signalling Bias in GPCRs’ скачать в хорошем качестве

Dynamic Structural Basis for Allosteric Modulation and Signalling Bias in GPCRs’

This talk by Irina Tikhonova of Queen's University Belfast was recorded on 28 May 2025 at the CCPBioSim Industry Talk. Abstract: In this presentation, I will showcase diverse computational techniques, primarily focusing on various molecular dynamics (MD) simulation methods, that we employ to investigate GPCR function and facilitate drug design. I'll demonstrate how these computational approaches synergize with chemical biology and pharmacology experiments, providing a comprehensive understanding of receptor mechanisms. The talk will emphasize two key areas of GPCR research: receptor activation and signalling, and allosteric modulation. To illustrate the practical applications of these computational methods, I will present case studies involving free fatty acid receptor 2.