Horacio Pérez‐Sánchez

STELLAR: A Fragment-Based Docking Workflow for Highly Flexible Long-Chain Biopolymers

Abstract Docking methods have improved significantly through optimization using generative approaches and systematic exploration of parameter configurations within docking software. However, docking large molecules such as peptides remains challenging, while the docking of large...

Freshness flavour perception via quantum-inspired and quantum ligand-based virtual screening

Abstract Flavour perception is a complex and critical biological process in the food industry in general and in beer production in particular. Taste is influenced by the simultaneous interaction of a large number of molecules present in food and beverages with specific receptors...