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Expand on system preparation #141

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fjclark opened this issue Dec 13, 2024 · 5 comments
Open
2 tasks

Expand on system preparation #141

fjclark opened this issue Dec 13, 2024 · 5 comments

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@fjclark
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fjclark commented Dec 13, 2024

Proposed Change

There was substantial interest in expanding on system preparation during the initial discussions. Suggestions were

  • Best practices for setting up systems to ensure reproducible outcomes @IAlibay
  • Expand on range of systems discussed e.g. membrane proteins, cofactors, multimers, including considerations such as relaxing/ removing membranes @hannahbrucemacdonald @slochower @vgapsys

Proposed Authors and Reviewers

Please confirm (before the end of January) that you are happy to author/ review and state when you're available. Authors, please say roughly when you plan to contribute the changes (no later than the end of May).

Proposed authors: @IAlibay @hannahbrucemacdonald @slochower @vgapsys and any other volunteers with suggestions
Proposed reviewers: Volunteers wanted

@hannahbruce
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I am happy to write or co-write parts of this section

@slochower
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I'm happy to help out as well, after next week.

@fjclark
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fjclark commented Jan 7, 2025

Great - thank you.

@IAlibay
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IAlibay commented Feb 5, 2025

Sorry for the delay, I'm happy to write a bit if there's anything I can help with, generally more likely to have time for reviewing though.

@fjclark fjclark removed the volunteers wanted Please volunteer to author or review label Feb 5, 2025
@slochower
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@IAlibay maybe we can put it some of what we talked about yesterday. For lipid-facing binding sites: importance of lipid positioning, composition, appropriate relaxation, compatible lipid/protein FF parameters. Anything else you can think of?

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