BiophysicsJournal of Chemical Theory and ComputationPeer-reviewed
BindFlow: a free, user-friendly pipeline for absolute binding free energy calculations using free energy perturbation or MM(PB/GB)SA
Alejandro Martínez León, Lucas Andersen, Jochen S. Hub
BindFlow is a Python-based tool for absolute binding free energy calculations using FEP or MM(PB/GB)SA, showing performance comparable to gold standards with lower computational cost for some systems.
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