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Published 20 hours ago • verified publisher icon alchemistry

Discuss Newer Restraint Schemes for ABFE

Open fjclark opened this issue 7 months ago • 0 comments

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.

fjclark avatar Jul 12 '24 16:07 fjclark