Computational Analysis

“Knowledge-based Directed Evolution ist the future of protein engineering”

– David Schönauer, Managing Director

Computational analysis and molecular simulations – also known as in silico design – are an essential part of any Directed Evolution project at SeSaM-Biotech. Understanding the nature and properties of beneficial mutations in an enzyme is the key to unlock its full potential and to eventually obtain a significantly improved enzyme variant.

Our computational services cover:

– literature and patent screening for protein structures and mutations

– crystal structure analysis

– homology model generation

– sequence and structure comparisons

– molecular docking studies

– molecular dynamics simulations

– protein folding analysis

– hot-spot targeting

– mutability and stability evaluation

– prediction of beneficial mutations


Learn more about our Computational Analysis expertise!

Directed Enzyme Evolution
Homology model of P450 BM-3 with marked key residues for substrate specificity and enzymatic activity. In silico design helps to visualize and predict their importance and required physico-chemical properties to achieve the evolution goal.

Computational analysis as part of the QuESt-service


In every QuESt-service, computational analysis helps to elucidate the role and beneficial effects of mutations within the amino acid sequence of the enzyme. This “knowledge-gaining” approach reduces screening efforts by up to 99 % and at the same time accelarates the development of significantly improved enzyme mutants. As a result, we provide a highly improved enzyme in a shorter timeframe at reduced costs.


Learn more about our QuESt-serivce here and feel free to get in touch with us.

Team up with SeSaM-Biotech!


You are …

A potential client

…interested in our Directed Evolution expertise but have internal computational analysis or algorithms that you would like to use? Or you have another development partner for the rational enzyme design? Our flexible Directed Evolution projects can be specifically designed to include your internal/external expertise and use the available resources in the most efficient manner.

A rational enzyme design company or start-up

…looking for a wet-lab partner for Directed Enzyme Evolution or to jointly offer all-in-one evolution services? We would be happy to learn more about your expertise and team up with you to jointly evolve the enzymes of the future!

We are a true fan of win-win-win scenarios! Get in touch with us to discuss potential partnership opportunities.