touchpoint_26 Sep 2024

Agenda

1. Housekeeping and review TODO (15 mins)
2. Review project board (30 mins)
3. Plan next week (15 mins)

Attendees

1. Mike
2. Stephen
3. Steven
4. Amjad

Meeting notes

• Planning for hackathon: Mike has a trip planned for the week of Jan 27 2025. We could plan to combine with this trip. He could add days around it.
• Code would be ready for hackathon by Oct 10. We could plan a virtual hackathon to make sure code runs BMS infra.
• We discussed about the a paper(https://doi.org/10.1063/5.0207959) that used the go method to parameterize the mAb without using the harmonic bonds. This was necessary for this paper since they were modeling the aggregation of mAbs at the oil/water interface. We agreed the go method might be the best way to get the Martini model to work for our molecules. Mike will write the code to run the go method on our test mAb

Action Items

1. Run go method for test mAb - Mike
2. Send placeholder for hackathon in Feb 3,4,5 - Stephen
3. Contract renewal options - Stephen
4. Find date for virtual hackathon after Oct 10 - Stephen
5. Put lit review slides in discussion board
6. Follow up on temperature scale from openMM+Martini/check with Gromacs simulation - Mike
7. Post question on Martini email group about modeling mABs - Mike
8. Create a new user story for Bespoke FF integration with OpenFE workflow - Yilin, Kaushik, Stephen (to follow up)
9. Work on the slides - Team
10. Lit review on Martini CG and charge models - Amjad