Hui Liu
5PUBLICATIONS
6CO-AUTHORS
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Publications (5)
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|Feb 15, 2023
MDBuilder: a PyMOL plugin for the preparation of molecular dynamics simulations.Hui Liu, Ye Jin, Hanjing Ding
|May 20, 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
|Mar 17, 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
|Sep 12, 2019
Mapping the Binding Hot Spots on Human Programmed Cell Death 1 and Its Ligand with Free-Energy Simulations.Hanjing Ding, Hui Liu
|Jun 28, 2019
End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design.Ercheng Wang, Huiyong Sun, Junmei Wang
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