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Applications

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

 

on premise apps image Sept 2023-2

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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