Symmetric Computing, Inc.

Boston,  MA 
United States
http://www.symmetriccomputing.com
  • Booth: 524

Symmetric Computing builds large shared memory departmental supercomputers that contain multiple GPUs. We provide integrated software solutions for drug discovery, molecular dynamics and artificial intelligence. We work with scientist, engineers, doctors and designers to expand their capabilities by adopting supercomputing technologies.


 Products

  • Virtual Drug Discovery Platform and Service
    Symmetric Computing is offering early compound screening services for drug discovery using its Virtual Drug Discovery Platform (VDDP) based on our Ada large shared memory GPU supercomputer....

  • This platform combines our Ada large shared memory GPU supercomputer with a pipeline that joins geometric docking using Autodock Vina with molecular dynamics using NAMD. Given a target protein, we virtually screen compounds from our database and then validate the selected compounds using assays. The workflow chart below shows our procedure.

    Summary of Virtual Screening Services

    • Identification of potential binding sites on target protein
    • Recommendation of appropriate subsets of small molecules from 300 million compound database
    • Geometric docking of selected small molecules to selected binding sites on target protein
    • Selection of up to 200 best compounds based on affinity scores
    • Molecular dynamics analysis of protein-ligand complexes for best compounds
    • Selection of up to 100 best compounds based on calculated dissociation constant (Ki) and free energy analysis
    • Cost: $25K for one million compounds screened (ask about smaller sizes)

    Summary of High Throughput Validation Services

    • Recommendation of appropriate biochemical assay(s) for testing best compounds
    • Spectral assays supported are: colorimetric, fluorometric, NMR (proton)
    • Analysis of results using curve fitting algorithms
    • Deliver Ki or Kd and IC50 for best compounds
    • Cost: $5K for colorimetric or fluorometric assay development for best compounds
    • Cost: $25 per compound for colorimetric or fluorometric assays, plus material cost
    • Cost: $10K for 50 best compounds using NMR assays, plus material cost

    Email: sales@symmetriccomputing.com

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