BiophysicsJournal of Molecular BiologyPeer-reviewed
Robust prediction of relative binding energies for protein-protein complex mutations using free energy perturbation calculations
Jared M. Sampson, Daniel A. Cannon, Jianxin Duan…·Lingle Wang
The paper benchmarks free energy perturbation calculations for predicting mutation effects on protein-protein binding affinity and introduces an automated method to improve accuracy.
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