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BDocker

BDocker

State-of-the-art Molecular Docking Solution

What is BDocker?

BDocker is an advanced molecular docking solution that predicts how potential drug molecules (ligands) bind to specific protein targets. By focusing on precise geometric similarity, BDocker dramatically speeds up early-stage drug discovery, enabling rapid screening of candidate molecules with remarkable accuracy.

protein ligand interaction

Visualizing the Docking Process

Highlights

Experience unmatched docking performance with:

Technology

BEIT has a track record of building optimized simulated annealers that outperform well-known quantum and classical solvers in the marketplace including DWAVE, QBOWL, CPLEX, and Gurobi

Ratio of computational time and solution quality of (AutoDock/BDocker) across different molecules.

Proven Performance

Set new standards in drug discovery with:

  • Superior performance validated against leading solvers.

  • Trusted results on complex molecular structures.

  • Innovative multi-threaded architecture for efficient scalability.

    • BDocker streamlines large-scale docking challenges by leveraging a parallelized approach that delivers exceptional speed and accuracy. This powerful capability accelerates the discovery of optimal ligand conformations, giving you a competitive advantage.

    In benchmark comparisons, BDocker correctly predicted the structure of imatinib, an FDA-approved anticancer drug docking to the c-Abl protein, at 3× the speed of freeware tools like AutoDock.

    Continuous Improvement

    We are constantly refining our product to explore the vast chemical space of molecular fragments, returning the most promising candidates for binding to a protein pocket and supporting de novo drug design. BDocker’s public release is coming soon, available as a stand-alone licensed binary or a managed cloud solution on AWS.

    Molecular docking of 2-Amino-8-Methylquinazolin-4(3H)-One to tRNA-Guanine Transglycosylase (TGT) in Zymomonas mobilis reveals potential interactions crucial for inhibiting this enzyme, which plays a key role in bacterial tRNA modification.

    Cloud & Local Accessibility

    Scale your research with:

    • Stand-alone binary licensing or managed AWS solution.

    • Flexible access for widespread industry application.

    • Continuously updated features and capabilities.