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.
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.
- June 20, 2018 BioExcel updates and Webinar - BioSimSpace – filling the gaps between molecular simulation codes (2018-06-27)
- June 6, 2018 Upcoming activities of interest to industry
- May 9, 2018 BioExcel Webinar - High-Confidence Protein−Ligand Complex Modeling by NMR Guided Docking Enables Early Hit Optimization (2018-05-10)
- October 20, 2017 HPC access for SMEs
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 ask.bioexcel.eu, regular webinars and newsletters.