Correction to Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex (vol 15, pg 4863-4882, 2023)

被引：0

作者：

Zhang, Ivy

Rufa, Dominic A.

Pulido, Ivan

Henry, Michael M.

Rosen, Laura E.

Hauser, Kevin

Singh, Sukrit

Chodera, John D.

机构：

来源：

关键词：

D O I：

10.1021/acs.jctc.3c01298

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：990 / 991

页数：2

共 4 条

[1] Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex
Zhang, Ivy
Rufa, Dominic A.
Pulido, Ivan
Henry, Michael M.
Rosen, Laura E.
Hauser, Kevin
Singh, Sukrit
Chodera, John D.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023, 19 (15) : 4863 - 4882
[2] Enhanced Ligand Sampling for Relative Protein-Ligand Binding Free Energy Calculations
Kaus, Joseph W.
McCammon, J. Andrew
JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 119 (20): : 6190 - 6197
[3] Robust Prediction of Relative Binding Energies for Protein-Protein Complex Mutations Using Free Energy Perturbation Calculations
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, Helene
Gueret, Stephanie 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
JOURNAL OF MOLECULAR BIOLOGY, 2024, 436 (16)
[4] Combining QM/MM Calculations with Classical Mining Minima to Predict Protein-Ligand Binding Free Energy (Vol 63, Pg 2728, 2023)
Molani, Farzad
Webb, Simon
Cho, Art E.
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2024, 64 (03) : 1105 - 1105