The following publications are possibly variants of this publication:
- Exploring the Stability of Ligand Binding Modes to Proteins by Molecular Dynamics Simulations: A Cross-docking StudyKai Liu, Hironori Kokubo. jcisd, 57(10):2514-2522, October 2017. [doi]
- Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning?Shukai Gu, Chao Shen, Jiahui Yu, Hong Zhao, Huanxiang Liu, Liwei Liu, Rong Sheng, Lei Xu 0035, Zhe Wang 0041, Tingjun Hou, Yu Kang 0002. bib, 24(2), March 2023. [doi]
- Prediction of ligand binding mode among multiple cross-docking poses by molecular dynamics simulationsKai Liu, Hironori Kokubo. jcamd, 34(11):1195-1205, 2020. [doi]