Discuss alchemical calculations in virtual screening

[fjclark]

Proposed Change

Discuss alchemical calculations in vritual screening. Gary Tresadern commented in the initial meeting that there has been a lot of discussion around ABFE for virtual screening - may be worth mentioning some of this work.

This is likely most suited to the "Unsettled practices" section.

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

[jmichel80]

I can draft this section

[fjclark]

Hi @elvismartis, thank you for volunteering. Since @jmichel80 has already volunteered, let's let him write the initial draft. Once this is complete, you could review and suggest/ contribute additions - I hope that's OK.

I'll keep this open to more reviewing volunteers as this is likely an "unsettled practices" area which may benefit from lots of input.

[elvismartis]

Hi @elvismartis, thank you for volunteering. Since @jmichel80 has already volunteered, let's let him write the initial draft. Once this is complete, you could review and suggest/ contribute additions - I hope that's OK.

I'll keep this open to more reviewing volunteers as this is likely an "unsettled practices" area which may benefit from lots of input.

Sounds perfect for me.

Thank you