In silico enzyme revolution
In silico - latin for "in silicon" commonly used to mean "performed on computer"

What we do

Connecting Industries

Industrial manufacturers
(Food & Beverage, Fine chemicals, Cosmetics, Pharma)

Diagnose potential compounds/processes to be produced/replaced by biocatalysts.

Close the gap between traditional Industry and protein producers by finding the right partners for implementation.

Protein producers
(Enzymes, Therapeutic proteins)

Accelerate protein optimization and reduce costs thanks to in silico evolution.

Expand the application range of your protein portfolio in new markets.

Do you want to improve your protein?

In silico protein engineering is your answer

Thanks to our cloud-based computer simulations pipeline we are capable of screening thousands of protein variants in competitive time.

Common services provided:

  • Improve the performance of enzymes to meet precise industrial requirements
  • Find new gainful applications for biocatalysts
  • Speed up and increase the success rate of focused and/or directed evolution
  • Achieve considerable savings in investment and reagents
  • Reduce lab to market time
  • Improve enzymes that do not have automatized laboratory screening processes
  • Perform quick and inexpensive probing of new potential enzymes

For more information please contact us

Protein Producers Scheme

Are you looking for an environmentally friendly synthesis?

Enzymes are your answer

Industries such as pharma, fine chemicals, polymers etc. can save up to 90% in process costs by replacing a chemical route by biochemical synthesis. Biocatalysts can help you save resources, energy, water and considerably reduce your gas emissions.

We will help you identify potential processes and the best biocatalyst for your problem.

For more information please contact us

Protein Manufacturers Scheme

Why we do it

Add value

Save up to 90% in process costs when standard chemical routes are replaced by biocatalytic solutions

Save resources

Reduce up to 70% in lab resources by constructing in silico smart mutant libraries


Expand the use of biocatalysts for a cleaner and sustainable society


Reduce Europe’s shrinking intellectual mass by creating an attractive working environment, which requires highly specialized scientists


Computer simulations

We use state-of-the-art molecular modeling to provide atomic level detail of your favorite protein system. This in silico microscope reveals fundamental dynamic information not accessible with experimental characterization.

Screening of thousands of mutations

Thanks to our cloud-based computer simulations pipeline we are capable of timely screening thousands of protein variants.

Third party technologies

Scientists at ZYMVOL have experience and expertise with a wide range of molecular modeling software. We use the most appropriate tools to meet your needs.


Full protein (backbone & side chain)
and substrate dynamics

Explicit water molecules

Final screening using high accuracy
quantum methods


Fatima Lucas, Ph.D.

Chief Executive Officer

Emanuele Monza, Ph.D.

Chief Scientific Officer

Victor Gil, Ph.D.

Chief Technology Officer

Advisory Board

Ildebrando Lucas, MBA

Professor of Finance
Algonquin College

Manel Arrufat, MBA

Entrepreneurship & Innovation Manager
Universitat Politecnica de Catalunya

Enrique Shadah, MBA

Head of Strategic Relationships
Massachusetts Institute of Technology

Maria Joao Ramos, Ph.D.

Vice-Rector for Research and Development
University of Porto

Willem J.H. van Berkel, Ph.D.

Wageningen University & Research




For Protein Producers

  • Improved activity, stability, specificity, selectivity
  • Mutant library design
  • Thermostability assay
  • Protein re-purposing
  • Active site re-design

For Other Industries

  • Target enzyme identification
  • Small molecule screening for biodegradation
  • Enzyme screening for wastewater elimination
  • Biocatalysts for industrial manufacturers
  • Quantification of energy and resource savings through biocatalysis
  • Custom design of biocatalysts
  • Protein purification and sequencing
  • 3D protein modelling

Other services

  • Homology modeling
  • Small-molecule docking
  • Molecular dynamics
  • Free energies
  • Protein screening
  • HTVS
  • Quantum mechanics
  • QM/MM
  • Monte Carlo simulation

Contact Us

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MediaTIC Building,
C/ Roc Boronat, 117
Floor 2 Module 6
08018 Barcelona,
+34 689 001 669
+34 93 858 76 44