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Abbreviation : APR
Long Form : attach-pull-release
No. Year Title Co-occurring Abbreviation
2019 Binding Thermodynamics of Host-Guest Systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative. ---
2017 Attach-Pull-Release Calculations of Ligand Binding and Conformational Changes on the First BRD4 Bromodomain. ---
2017 Evaluating Force Field Performance in Thermodynamic Calculations of Cyclodextrin Host-Guest Binding: Water Models, Partial Charges, and Host Force Field Parameters. ---
2017 The SAMPL5 host-guest challenge: computing binding free energies andenthalpies from explicit solvent simulations by the attach-pull-release (APR) method. beta-CD, CB7, MD