CORDIS Project
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This project focuses on improving drug discovery by enhancing the predictive accuracy of molecular binding simulations. It employs advanced computational techniques, including machine learning and multiscale molecular dynamics, to better understand the interactions of G-protein coupled receptors and identify new recept…
Molecular binding is a major research topic that has undoubtedly benefited of recent technological innovation, especially in the area of the so-called computational sciences.
However, the predictive power of computations remains low mainly due to the poor correlation of the in-silico models with the real world. A clear example is drug discovery where the drug in vivo efficacy is seen correlated to the ligand residence time, which is hardly predictable by current computational methods.
The presen…
UNIVERSITA DELLA SVIZZERA ITALIANA
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