CORDIS Project
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This project focuses on enhancing drug design by understanding how ligands affect protein dynamics. It aims to develop computational methods to identify new drug binding sites and improve the design of specific ligands for therapeutic targets, particularly in the cyclophilin protein family.
Although protein dynamics plays an essential role in function, it is rarely considered explicitly in current structure-based approaches to drug design.
Here I propose the computer-aided design of ligands by modulation of protein dynamics, or equivalently, protein structural ensembles.
The detailed understanding of ligand-induced perturbations of protein dynamics that will result from this study is crucial not just to accurately predicting binding affinities and tackling ""undruggable"" targets,…
THE UNIVERSITY OF EDINBURGH
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