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

A bottom-up approach to find lead compounds in expansive chemical spaces

YAT2150: Overcoming limitations of traditional amyloid dyes in aggregation studies

A Multicomponent Reaction-Based Platform Opens New Avenues in Aryl Hydrocarbon Receptor Modulation

The need to implement FAIR principles in biomolecular simulations

Mining Druggable Sites in Influenza A Hemagglutinin: Binding of the Pinanamine-Based Inhibitor M090

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