TYC Biological and Soft Matter Interest Group Seminar

Wilkins Garden Room, Wilkins Building, Gower St, London WC1E 6BT Deep Learning of G-Quadruplexes - Shozeb Haider, UCL Dynamics of binding pockets in proteins - Arianna Fornili, QMUL
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TYC Biological and Soft Matter Interest Group Seminar

9 February 2023 @ 3:00 pm 5:00 pm

Wilkins Garden Room, Wilkins Building, Gower St, London WC1E 6BT

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Deep Learning of G-Quadruplexes – Shozeb Haider, University College London

G-quadruplexes (G4) are widely distributed higher-order structures in nucleic acids.  Their potential involvement in various biological processes, have attracted enormous interest as drug targets. G4-forming sequences are highly polymorphic. The same sequence, under different conditions can adopt multiple, highly stable structural topologies. However, the core dynamics is undifferentiated between different topologies. A CVAE-based deep neural network is applied study the dynamics of multiple G4 structures.  We explain the similarities and differences between their dynamics characterized by sequence, topology and ligands. The CVAE-based deep learning method captures characteristics of the investigated G4 structures and compresses them into a low-dimensional latent space in a discrete manner.   

Dynamics of binding pockets in proteins – Arianna Fornili, Queen Mary University of London

The role of dynamics in modulating the druggability of proteins has found increasing recognition in recent years. This talk will cover the latest research in the lab (https://afornililab.wordpress.com/) on protein dynamics and how it can affect the stability, shape and composition of small-molecule binding pockets.

Organised by:

Edina Rosta