As a computational chemist at Redesign, I assembled and validated the company's virtual high-throughput screening pipeline, evaluating different techniques (docking, molecular mechanics - Generalized Born surface area (MM-GBSA) calculations, metadynamics, steered molecular dynamics (SMD), absolute binding free energy (ABFE) and relative binding free energy (RBFE) calculations, and optimizing workflows for performance and cost.Moreover, I actively applied the pipeline to in-stock chemical libraries and AI-generated chemical matter to prospective projects, delivering hit molecules for protein targets in drug discovery programs.I further optimized the hit molecules into leads by working closely with medicinal chemists and applying generative modelling and relative binding free energy calculations.