Bring a world of untold potential into view with accurate and precise data that powers your model-making and predictions. Accelerating the preparation, search, and assessment of your protein structural complexes, OpenEye provides you with validated scientific tools critical for understanding and addressing your biomodeling needs.
Streamline your process to generate high quality protein models and quickly assess quality of protein structures based on Iridium criteria.
Access more than 100,000 pharmaceutically relevant protein structures, classified by functions and annotated for model quality, already prepared for your modeling needs.
Compare your protein binding site against over 200K known protein binding sites and over 2 Million potential protein binding sites for off-target interactions.
Optimize molecular structures with the force field to yield quality 3D molecular structures for use as input to other programs.
Discover SZYBKI
The highly parallelized Weighted Ensemble (WE) Molecular Dynamics (MD) method enables you to efficiently perform large scale biomolecular simulations.
Get more from your cryo-EM data. Find your new therapeutic opportunities hidden in complex protein structures..
Use cryptic pocket detection to explore ligand binding- and putative-sites, and help with assessing the drugability of difficult protein targets.
Rapidly identify potentially active compounds by shape comparison and perform automatic ligand fitting to crystallographic density.
Calculate permeability coefficient and gain kinetic insight into the mechanism of passive membrane permeability.
