6 researchers in a grid format
Dear all,

The BioExcel Virtual Workshop on Best Practices in QM/MM Simulation of Biomolecular Systems has featured talks by invited speakers on a range of topics. Recordings and slides of these webinars are available on our website.

On Friday January 29th the workshop culminates in a final panel session in which all the invited speakers join to discuss important challenges and corresponding best practices regarding the use of QM/MM approaches for biomolecular modelling and simulation. The panel will reflect on and share views on recurring themes that emerged across the workshop such as:

- When and how to use QM/MM
- Structure / model preparation and validation
- QM/MM modelling/simulation protocol and validation
- Choice of software and use of high-performance computing
- Validation, analysis, and interpretation of simulation results

Attendees are also encouraged to submit questions to the panel in advance of the session.

Best regards,
Workshop organisers
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