— The Evolution of Molecular Design

The Evolution of Molecular Design

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    LEAD DISCOVERY

    LEAD DISCOVERY

    Searching large numbers of molecules to find the small fraction with biological activity is a challenging problem. Want to search millions of molecules in fractions of a minute using 3D similarity? 

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    LEAD OPTIMIZATION

    LEAD OPTIMIZATION

    Generation of new ideas for structural modification of a lead molecule can be straightforward; prioritizing those ideas is difficult. Want to find new directions for your discovery project? 

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    CUSTOMIZATION

    CUSTOMIZATION

    OpenEye offers a custom coding service to help customers develop and deploy solutions specific to their problems and their workflows. Want to see if our custom coding service could help your endeavor?  

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    CHEMINFORMATICS

    CHEMINFORMATICS

    OpenEye offers an extensive set of cutting-edge cheminformatics toolkits across a wide range of platforms and languages. Want to integrate your disparate chemical information and turn it into focused knowledge?  

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    CRYSTALLOGRAPHY

    CRYSTALLOGRAPHY

    AFITT is the only software available to offer a fully automatic ligand fitting process that optimizes ligand fit to density while minimizing conformational strain. Want to obtain significantly better ligand conformations within refined structures? 

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    DATABASES

    DATABASES

    OpenEye offers 3 types of databases: pre-computed OMEGA libraries (eMolecules & Namiki), the Iridium Database and pKa Data. Want to see how these data can enhance your results?

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    DATABASE PREPARATION

    DATABASE PREPARATION

    A properly prepared database is the first step towards a successful virtual screening campaign. Want to find out how to remove undesirable compounds, handle tautomers and charges, and generate conformers once for rapid downstream applications?

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  • Envision 2021 - Available On-Demand

    Virtual Screening, Orion® as a Managed Service, Lead Optimization, and Antibody Engineering

    The OpenEye Envision Series, a program of four online events covering specific industry topics is now available on-demand for a limited amount of time. 

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  • CUP XXI - Save the Date!

    March 8-10, 2022

    CUP XXI is happening live in Santa Fe this Spring! 

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  • OpenEye Announces a Strategic Partnership with Black Diamond Therapeutics


    OpenEye Scientific announces a strategic partnership with Black Diamond Therapeutics to accelerate drug discovery efforts through cloud-based molecular dynamics technology.

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  • OpenEye Scientific and Specifica Partner to Launch Orion® Antibody Discovery Suite incorporating AbXtract™


    Use AbXtract™ in Orion® to identify antibodies within the same functional cluster that have reduced number of liabilities

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  • OpenEye Scientific Introduces Its Scientific Advisory Board


    OpenEye Scientific has officially introduced its Scientific Advisory Board, which includes experts in the fields of biophysics and molecular modeling.

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