Robust Prediction of Relative Binding Energies for Protein-Protein Complex Mutations Using Free Energy Perturbation Calculations
利用自由能微扰计算对蛋白质-蛋白质复合物突变的相对结合能进行稳健预测
期刊:Journal of Molecular Biology
影响因子:4.5
doi:10.1016/j.jmb.2024.168640
Sampson, Jared M; Cannon, Daniel A; Duan, Jianxin; Epstein, Jordan C K; Sergeeva, Alina P; Katsamba, Phinikoula S; Mannepalli, Seetha M; Bahna, Fabiana A; Adihou, Hélène; Guéret, Stéphanie M; Gopalakrishnan, Ranganath; Geschwindner, Stefan; Rees, D Gareth; Sigurdardottir, Anna; Wilkinson, Trevor; Dodd, Roger B; De Maria, Leonardo; Mobarec, Juan Carlos; Shapiro, Lawrence; Honig, Barry; Buchanan, Andrew; Friesner, Richard A; Wang, Lingle