Assessing computational strategies for the evaluation of antibody binding affinities.
Ida Autiero, Damiano Buratto, Fengyi Guo, Wanding Wang, Malay Ranjan Biswal, Chun Chan, Ruhong Zhou, Francesco Zonta
This study compares computational methods for calculating antibody binding affinities and finds equilibrium MMPBSA outperforms other methods for a specific antibody-peptide system.
Journal of Chemical Theory and Computation · Oct 23, 2025Peer-reviewedBiophysics