Reckitt, Schrödinger, and Ansys teamed up to combine molecular simulation and engineering-scale modeling to connect the atomistic building blocks of soap to the realities of large-scale production.

BY Tyler London, Lia Argentou & Haidong Liu

Virtual screening is a foundational early-stage triage method in hit discovery. It enables the efficient evaluation of millions, and sometimes billions of synthetically accessible compounds by applying a funnel-like workflow.

Scientists rely on experimental and computational techniques to reveal, refine, and validate molecular structures, ensuring targets are ready for structure-based modeling and enabling the translation of molecular insight into new medicines.