CORDIS Project
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This project utilizes ultra-high resolution X-ray crystallography to analyze electron density in proteins, focusing on the interactions and bonding within protein structures. It aims to enhance the understanding of protein-ligand interactions and improve computational models for predicting binding affinities.
X-ray crystallography at ultra-high resolution enables to observe the deformation of the atomic electron densities due to chemical bonding and intermolecular interactions.
These can be quantitatively analysed via charge density studies, a mature and dynamic branch of modern crystallography, which provides important chemical information (charges, bond order, nucleophilicity…) on the atoms.
For the analysis of the increasing number of protein structures measured at subatomic resolution, LCM3B has…
CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS
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