Discuss Newer Restraint Schemes for ABFE

alchemistry / alchemical-best-practices

Best practice document for alchemical free energy calculations going to livecoms journal

Creative Commons Attribution 4.0 International

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Open fjclark opened 4 months ago

fjclark commented 4 months ago

This PR addresses https://github.com/alchemistry/alchemical-best-practices/issues/129 by adding a short discussion of newer ABFE restraints. I've also added a sentence with references to methods for automated Boresch restraint selection.

Thanks.