Robust prediction of relative binding energies for protein-protein complex mutations using free energy perturbation calculations.
Sampson JM, Cannon DA, Duan J, C K Epstein J, Sergeeva AP, Katsamba PS, Mannepalli SM, Bahna FA, Adihou H, Guéret SM, Gopalakrishnan R, Geschwindner S, Gareth Rees D, Sigurdardottir A, Wilkinson T, Dodd RB, De Maria L, Carlos Mobarec J, Shapiro L, Honig B, Buchanan A, Friesner RA, Wang L.
Sampson JM, et al. Among authors: duan j.
J Mol Biol. 2024 Jun 4:168640. doi: 10.1016/j.jmb.2024.168640. Online ahead of print.
J Mol Biol. 2024.
PMID: 38844044