News
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Exploring the structural and functional dynamics of trimeric and tetrameric states of influenza encoded PB1-F2 viroporin through molecular dynamics simulations
Exploring the structural and functional dynamics of trimeric and tetrameric states of influenza encoded PB1-F2 viroporin through molecular dynamics simulations. Viruses act by hijacking the host cellular functions to replicate […]
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Exploration of crystal chemical space using text-guided generative artificial intelligence
A research team of Hyunsoo Park, Anthony Onwuli and Aron Walsh from the Department of Materials, Imperial College London have developed Chemeleon, an AI model that generates crystal structures from […]
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Quantifying Cooperativity through Binding Free Energies in Molecular Glue Degraders
This research in collaboration between the Rosta group from the TYC/UCL and AstraZeneca scientists introduces a new algorithm to find “molecular glues” using thermodynamic calculations. Imagine these as tiny helpers […]