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Better integrate sections copied from V1 into "Is my problem suitable for alchemical free energy calculations" #5

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fjclark opened this issue Dec 13, 2024 · 0 comments
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fjclark commented Dec 13, 2024

Proposed Change

Large sections have been copied from V1 into the "Is my problem suitable for alchemical free energy calculations". These need to be better integrated.

One example is the "Is my binding mode accurate?" section in the single calculations manuscript (e.g. "Are you prepared to deal with any binding mode challenges?"). @volunteer to tidy this up, moving appropriate information to first article and focusing here on challenges in a high-throughput setting, e.g. should I use multiple binding poses from docking? How should I select
them?

Proposed Authors and Reviewers

Please volunteer (before the end of January) 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 author: Volunteer wanted
Proposed reviewer: Volunteer wanted

@fjclark fjclark added the volunteers wanted Please volunteer to author or review label Dec 13, 2024
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