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    FEP Computation as a Service

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    Sold by: Atombeat 
    Atombeat offer FEP computation as a professional service, delivering end-to-end computational support for computational-driven binding affinity evaluation. This service is widely applicable to hit/lead optimization process.

    Overview

    Free energy perturbation (FEP) method computes binding free energy with assay-level accuracy and is used widely in computational-driven drug optimizations. A success usage of FEP, though, requries significant domain knowledge, from computational system construction, ligand parametrization to the correct set up of FEP calcualtions.

    Backed up by an elite team of computational chemists and medicinal chemists, Atombeat is able to offer fast, reliable and accurate FEP calculation, using our proprietary FEP platform Uni-FEP. The platform features customized forcefield, robust calculation and widely applicable modalities covering peptides and covalent molecules.

    Highlights

    • Fast, robust and accurate FEP calculation
    • Peptide FEP, Covalent FEP
    • Customized forcefield

    Details

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    Deployed on AWS
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