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Journal of Chemical Information and Modeling|August 20, 2013
Insight into crizotinib resistance mechanisms caused by three mutations in ALK tyrosine kinase using free energy calculation approachesHuiyong Sun, Youyong Li, Dan Li, et al.Journal of Pharmaceutical Analysis|May 7, 2020
Prediction of fibril formation by early-stage amyloid peptide aggregationJiaojiao Hu, Huiyong Sun, Haiping Hao, et al.Molecular Biosystems|June 16, 2016
Unraveling the conformational determinants of LARP7 and 7SK small nuclear RNA by theoretical approachesLei Xu, Ren Kong, Jingyu Zhu, et al.Molecular Biosystems|May 25, 2013
Structural basis of the interactions between CXCR4 and CXCL12/SDF-1 revealed by theoretical approachesLei Xu, Youyong Li, Huiyong Sun, et al.Current Opinion in Structural Biology|September 11, 2025
Dynamic characteristics of proteolysis-targeting chimera systems revealed by in silico computationsKexin Xu, Jingxuan Ge, Rongfan Tang, et al.Journal of Chemical Theory and Computation|March 16, 2017
Improving the Efficiency of Non-equilibrium Sampling in the Aqueous Environment via Implicit-Solvent SimulationsHui Liu, Fu Chen, Huiyong Sun, et al.The Journal of Physical Chemistry. B|June 25, 2013
Assessing the performance of MM/PBSA and MM/GBSA methods. 3. The impact of force fields and ligand charge modelsLei Xu, Huiyong Sun, Youyong Li, et al.RSC Advances|May 11, 2022
Fullerene derivatives act as inhibitors of leukocyte common antigen based on molecular dynamics simulationsYi Yu, Huiyong Sun, Tingjun Hou, et al.Journal of Chemical Information and Modeling|August 22, 2024
Elucidating the Selective Mechanism of Drugs Targeting Cyclin-Dependent Kinases with Integrated MetaD-US SimulationLingling Wang, Shu Li, Sutong Xiang, et al.Physical Chemistry Chemical Physics : PCCP|July 8, 2014
Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data setHuiyong Sun, Youyong Li, Sheng Tian, et al.Pageof 11