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Applications (Desktop/Linux)

OpenEye’s desktop applications provide you the tools to help you design potent and selective bioactive molecules. Combining scientific innovations with the best software engineering principles, our desktop applications are well known for both efficiency and robustness.

 

Desktop applications.

Trusted Science.

AFITT

Automatic ligand fitting to crystallographic density

BROOD

Fragment replacement for molecular design

EON

Electrostatic similarity for lead-hopping

FILTER

Compound property calculation & removal of undesirables

OEDocking

Docking for lead discovery and lead optimization

OMEGA

Rapid, accurate conformer generation

pKa Prospector

Providing protonation insights for novel molecules

QUACPAC

Tautomer/protomer enumeration & charge assignment

ROCS®

Shape similarity for lead discovery and lead hopping

SPRUCE

Protein preparation and modeling

SZMAP/GamePlan

Understanding water interactions in a binding site

SZYBKI/FreeForm

Molecular energetics with force fields

VIDA

Visualization & communication of modeling results

SiteHopper

Protein binding sites similarity search

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