Reduce time-to-market by accelerating enzyme discovery & design

Complete in silico enzyme engineering in less than 1 month


Learn more


Learn more


Learn more

ZYMVOL’s Advantages

Faster turnaround time

Enzyme engineering projects normally take 6-18 months. ZYMVOL provides full in silico enzyme engineering in less than 1 month. By replacing most laboratory tests with virtual enzyme screening, we can reduce project times by 50-80%.

Better performingenzyme variants

ZYMVOL’s realistic simulations of the biocatalytic process account for full protein (backbone and side chain) dynamics, explicit solvent (water and/or mixed organic) and electronic effects (quantum mechanics). Furthermore, our simulations are fitted with relevant experimental data, allowing us to accurately replicate enzyme-ligand encounters. This is why ZYMVOL can predict high-quality enzyme libraries for a wide range of tasks, including selectivity, specificity, solvent tolerance, temperature & pH stability and activity.

Higher success rates

Our multi-approach platform delivers solutions using different methodologies, generating both consensus and orthogonal solutions. Our predictions are based on protein design software, computational chemistry tools, bioinformatics, molecular dynamics and more. Therefore, unlike most of our competitors, our predictions do not depend on a single approach, meaning we avoid methodology-dependent false-positive biases and improve our success rate.

Higher cost efficiency

We work on a fee-for-service basis with risk-sharing success fee schemes.

In addition, performing the majority of screening by computer means increased chances of success and greatly reduced lab work, from thousands or millions of enzymes to less than 300.

Recover dead-endprojects

Directed evolution campaigns may not always lead to a solution but they do always generate a wealth of data. If you have sequences-activity data, we can rescue your project by analyzing the experimental results and using this information to generate knowledge and improve our success rate.

Reduce risk

Some tasks are particularly challenging, such as undocumented issues, low-quality structural data, high molecular complexity, etc. Therefore, it is not always clear whether our technology can make a difference. That’s why our team performs a 1-2-week diagnostic study of your project and its specific challenges to determine our potential impact. This puts our clients in a better position to assess the risks and benefits of working with us before undertaking any given engineering campaign.

Freedom to operate

ZYMVOL works on a fee-for-service and success fee basis with royalty-free business models that make it easy to work with us. Our contracts offer tiered IP right schemes, right up to “total freedom to operate,” for our customers to choose from.

ZYMVOL’s unique simulationsmake computational enzymeevolution a reality

Proprietary ZYMEVOLVER software and world-class IT infrastructure ensure fast, accurate simulations that take into account all relevant reaction parameters. Our main technological advantage relies on proprietary algorithms optimized to speed up our in in silico discovery and engineering.

The introduction of empirical data through machine learning makes ZYMEVOLVER a superior tool for realistic reaction predictions!



Side chainflexibility



No other company in the world combines full protein dynamics—backbone and side chains—with explicit water representation, quantum mechanics and experimental data!
See details in Technology

How we obtained improved variants of an enzyme (through in silico modeling) without structural data

In August 2020 we started a collaboration with a customer from the Biotech sector who wanted to increase the activity and specificity of an enzyme for a target substrate.

However, we were facing an outstanding situation. Our customer’s project enzyme had:

  • No known crystal structure
  • Very few known sequences similar to the wild-type, hindering the use of sequence-based tools
  • Unavailability of appropriate templates to build a good quality homology model

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    ZYMVOL’s Expertise

    ZYMVOL’s experience improving enzymes is the key of our success.

    Enzyme track record:

    Peroxidases/peroxygenases, P450s

    Flavo proteins

    Alcohol dehydrogenases
    Imine reductases

    Simulation track record:

    Over 20 years of experience in multiple molecular modeling fields

    Homology modeling
    Small-molecule docking
    Molecular dynamics

    Free energies calculations
    Protein screening

    Quantum mechanics
    Monte Carlo simulations

    Company track record:


    Industrial projects
    carried out


    Total R&D
    public grants