QM/MM Best Practice Workshop: Panel Session (2021-01-29)

A panel session concludes the BioExcel Virtual Workshop on Best Practices in QM/MM Simulation of Biomolecular Systems.

QM/MM Best Practice Workshop: Panel Discussion

Date: Friday 29 January, 2021
Time:
13:00 CET

Register

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 via the workshop overview page linked above, and directly on our YouTube channel.

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 regarding best practice, 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 will be able to ask questions during the session, and you are also encouraged to submit questions to the panel in advance of the session (up until 18:00 CET on Thursday January 28th), some of which may be selected for the panel to respond to.


Register

Registration URL: https://register.gotowebinar.com/register/26642678827057932

After registering you will receive an email with details how to can connect to the session