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Structural Biology

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.

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Trusted Science.

Automated Protein Preparation and Structure Assessment

Streamline your process to generate high quality protein models and quickly assess quality of protein structures based on Iridium criteria.

Discover SPRUCE

Prepared Protein Structures

Access more than 38,000 pharmaceutically relevant protein structures, classified by functions, annotated for model quality, and readily prepared for your modeling needs

Discover Orion® MacroMolecular Data Service

Protein Binding Sites

Compare your protein binding site against ~40,000 known protein binding sites and ~300,000 potential protein binding sites for off-target interactions

Discover SiteHopper

Molecular Dynamics

Optimize molecular structures with the force field to yield quality 3D molecular structures for use as input to other programs.

Discover SZYBKI

Membrane Permeability

Calculate permeability coefficient and gain kinetic insight into mechanism of passive membrane permeability

Discover Orion Permeability


Rapidly identify potentially active compounds by shape comparison and perform automatic ligand fitting to crystallographic density.

Discover AFITT

Accelerate your Science with OpenEye

Find out how you can improve speed and results

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