Huiyong Sun

Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power

Zhe Wang, Huiyong Sun, Xiaojun Yao et al. · Physical Chemistry Chemical Physics · 2016 · 959 citations

Life Sciences, Bioinformatics, Medicinal Chemistry +17

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 set

Huiyong Sun, Youyong Li, Sheng Tian et al. · Physical Chemistry Chemical Physics · 2014 · 729 citations

Life Sciences, Bioinformatics, Chemistry +8

Assessing the performance of MM/PBSA and MM/GBSA methods. 5. Improved docking performance using high solute dielectric constant MM/GBSA and MM/PBSA rescoring

Huiyong Sun, Youyong Li, Mingyun Shen et al. · Physical Chemistry Chemical Physics · 2014 · 530 citations

Life Sciences, Bioinformatics, Medicinal Chemistry +16

Assessing the Performance of MM/PBSA and MM/GBSA Methods. 3. The Impact of Force Fields and Ligand Charge Models

Lei Xu, Huiyong Sun, Youyong Li et al. · The Journal of Physical Chemistry B · 2013 · 467 citations

Natural Sciences, Biophysics, Medicinal Chemistry +17

Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein–protein binding free energies and re-rank binding poses generated by protein–protein docking

Fu Chen, Hui Liu, Huiyong Sun et al. · Physical Chemistry Chemical Physics · 2016 · 463 citations

Life Sciences, Biochemistry, Biophysics +17