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Extending the MST Model to Large Biomolecular Systems: Parametrization of the ddCOSMO-MST Continuum Solvation Model

First-principles simulations of the fluorescence modulation of a COX-2-specific fluorogenic probe upon protein dimerization for cancer discrimination

Drug Discovery Approaches to Target E3 Ligases

Improved Description of Environment and Vibronic Effects with Electrostatically Embedded ML Potentials

On the breakdown of Förster energy transfer theory due to solvent effects: atomistic simulations unveil distance-dependent dielectric screening in calmodulin

Understanding the Role of H-Bonds in the Stability of Molecular Glue-Induced Ternary Complexes

Molecular driving force of a small molecule-induced protein disorder-order transition

Targeting dihydroceramide desaturase 1 (Des1): Syntheses of ceramide analogues with a rigid scaffold, inhibitory assays, and AlphaFold2-assisted structural insights reveal cyclopropenone PR280 as a potent inhibitor

ProteoCure: A European network to fine-tune the proteome

Proximity-Induced Pharmacology for Amyloid-Related Diseases