Hui Liu

According to our database, Hui Liu authored at least 9 papers between 2016 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

MDBuilder: a PyMOL plugin for the preparation of molecular dynamics simulations.

Hui Liu, Ye Jin, Hanjing Ding

Briefings Bioinform., March, 2023

2021

VAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein-Ligand Binding Free Energy Calculations.

Ercheng Wang, Weitao Fu, Dejun Jiang, Huiyong Sun, Junmei Wang, Xujun Zhang, Gaoqi Weng, Hui Liu, Peng Tao, Tingjun Hou

J. Chem. Inf. Model., 2021

2020

Development and Evaluation of MM/GBSA Based on a Variable Dielectric GB Model for Predicting Protein-Ligand Binding Affinities.

Ercheng Wang, Hui Liu, Junmei Wang, Gaoqi Weng, Huiyong Sun, Zhe Wang, Yu Kang, Tingjun Hou

J. Chem. Inf. Model., 2020

2019

HawkDock: a web server to predict and analyze the protein-protein complex based on computational docking and MM/GBSA.

Gaoqi Weng, Ercheng Wang, Zhe Wang, Hui Liu, Feng Zhu, Dan Li, Tingjun Hou

Nucleic Acids Res., 2019

Communication between the Ligand-Binding Pocket and the Activation Function-2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations.

Ye Jin, Mojie Duan, Xuwen Wang, Xiaotian Kong, Wenfang Zhou, Huiyong Sun, Hui Liu, Dan Li, Huidong Yu, Youyong Li, Tingjun Hou

J. Chem. Inf. Model., 2019

Mapping the Binding Hot Spots on Human Programmed Cell Death 1 and Its Ligand with Free-Energy Simulations.

Hanjing Ding, Hui Liu

J. Chem. Inf. Model., 2019

2017

Comparative analyses of structural features and scaffold diversity for purchasable compound libraries.

Jun Shang, Huiyong Sun, Hui Liu, Fu Chen, Sheng Tian, Peichen Pan, Dan Li, De-Xin Kong, Tingjun Hou

J. Cheminformatics, 2017

HawkRank: a new scoring function for protein-protein docking based on weighted energy terms.

Ting Feng, Fu Chen, Yu Kang, Huiyong Sun, Hui Liu, Dan Li, Feng Zhu, Tingjun Hou

J. Cheminformatics, 2017

2016

CaFE: a tool for binding affinity prediction using end-point free energy methods.

Hui Liu, Tingjun Hou

Bioinform., 2016