molecular simulations - Robuta Search

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Targeted protein degradation using molecular glue degraders is a novel therapeutic strategy for modulating hard-to-drug proteins like CDK12. This thesis... molecular dynamics simulations glue targeting cyclin https://research.chalmers.se/en/publication/541044 Machine Learning in Molecular Dynamics Simulations of Biomolecular Systems Machine learning (ML) has emerged as a pervasive tool in science, engineering, and beyond. Its success has also led to several synergies with molecular... machine learning molecular dynamics simulations systems https://opus.uleth.ca/items/0638f2bb-3a45-47f6-a5d6-0f72bc5060b1/full Characterization and rational design of biomolecular sensors using molecular dynamics simulations Biosensors are analytical devices that use biological components to detect and report the presence of a target molecule. 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Using molecular dynamics simulations, we study interacting polyelectrolyte brushes that are grafted to two parallel surfaces (quasi-Planar Membrane). 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