About Us

We are focused on delivering state-of-the art applications for computational drug discovery. Our software is used by hundreds of users in academia and the pharmaceutical industry. Our latest development is PlayMolecule, the first platform to offer molecular dynamics and machine learning applications for drug discovery with a specific focus on drug design.

ONGOING COLLABORATIONS WITH


Biogen Janssen Novartis Pfizer UCB

Software

Enhance your drug discovery workflow with molecular dynamics (MD) and machine learning (ML).

Solutions to build, simulate and analyze your molecular systems.

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An integrated platform for drug discovery using Acellera's state-of-the-art
technologies in machine learning and molecular simulations.
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Services

Acellera offers tailored consultancy services to solve the most challenging, computer-based drug discovery problems.

Do you just need to run raw molecular dynamics? Or are you more interested in a detailed analysis, such as studying cryptic pockets or predicting the binding affinity of a series of ligands to your target receptor? Let us know more about your project and we will come back to you within 24 hours. We have the technology and the expertise that you need.

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Testimonials

These are some comments from our clients.

  • ACEMD has provided a significant boost in performance, even a single GPU card out performs several hundred CPU-cores. With 10 cards we can easily generate microsecond level sampling in a few days.

    P. K. Agarwal, Ph.D., ORNL

  • ACEMD is an admirable molecular dynamics tool that clearly holds its promises.

    L. Gauthier, Ph.D., Sanofi

  • My impression is good since the beginning, in a workstation with 4 GPUs we have the power of a small supercomputer.

    M. Ceccarelli, Ph.D., University of Cagliari

  • The combination between ACEMD and a single GTX-780 helped us to understand discrete events happening between two metastable intermediates. The combination of MD simulations and experimental data was key to achieve our goal.

    A. Perálvarez, Ph.D., Universidad Autónoma de Barcelona
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