Renewal of subscription to LigandScout Expert Remote Execution, unlimited seats floating license,

The contract involves the renewal of a license for LigandScout software, a leading tool in pharmacophore-based modeling and drug design that adheres to industrial standards. LigandScout offers a comprehensive suite of modules supporting structure-based and ligand-based pharmacophore modeling, binding affinity estimation, automated pharmacophore creation from molecular dynamics trajectories, recognition of ligand-protein interactions, ligand clustering, and visualization. Its advanced features facilitate accelerated lead discovery and optimization, making it a vital resource for drug research and development across multiple disciplines, including chemistry, pharmacodynamics, and pharmacokinetics. The software is recognized for its reliability and is supported by recent publications and conference presentations, underscoring its prominence in structural data analysis of macromolecule-ligand complexes. This renewal is part of a broader effort by the National Institutes of Health (NIH), specifically under the Department of Health and Human Services, to maintain access to this essential software for their research activities. The license is a remote, unlimited seats floating license, ensuring broad accessibility for multiple users within the organization. The solicitation was posted in August 2025, with a response deadline at the end of the same month. The contract aims to support ongoing drug discovery and development initiatives by providing up-to-date, reliable pharmacophore analysis tools, with a designated point of contact for further communication.