Archived: Practical Applications for Industry Interest Group


The Industry IG has been formed to support the practical application of software and workflows that harness Molecular Modelling and Simulations, being used in an industry setting.


The group will focus on interests that are relevant to industry. This will include 1) Published use case applications e.g. virtual screening, antibody engineering and mutations; 2) BioExcel pilot use cases and workflows e.g. mutations, virtual screening, biomolecular complexes and molecular recognition.

We will also share best practices for success and work together to understand and fix pain points and challenges for exploiting the full potential of Molecular Modelling and Simulations. This will benefit from a strong relationship with the developers of the core BioExcel applications and workflows.

Shared resources

Resources generated by the group activities will be compiled by the interest group leader. Access to such resources will be made through a link to a portal on this page.



The Industry IG has agreed to meet monthly through teleconferences, led by Ian Harrow. Members of the group should also consider sign-up to the other BioExcel IGs and make full use of the available BioExcel communications, such as, regular webinars and newsletters.

Mail Ian Harrow