Youyong Li
Soochow University (Suzhou)
473 Papers
1.2K Citations
Youyong Li is an academic researcher from Soochow University (Suzhou). The author has contributed to research in topics: Catalysis & Chemistry. The author has an hindex of 66, co-authored 404 publications. Previous affiliations of Youyong Li include Macau University of Science and Technology & California Institute of Technology.
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Papers
Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations.
TL;DR: An extensive study of 59 ligands interacting with six different proteins finds that MM/PBSA can serve as a powerful tool in drug design, where correct ranking of inhibitors is often emphasized, and the accuracy of the binding free energies calculated by three Generalized Born (GB) models is evaluated.
2.4K
Comprehensive evaluation of ten docking programs on a diverse set of protein-ligand complexes: the prediction accuracy of sampling power and scoring power.
TL;DR: Overall, the ligand binding poses could be identified in most cases by the evaluated docking programs but the ranks of the binding affinities for the entire dataset could not be well predicted by most docking programs.
845
Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. the accuracy of ranking poses generated from docking
TL;DR: MM/GBSA performs well for both binding pose predictions and binding free‐energy estimations and is efficient to re‐score the top‐hit poses produced by other less‐accurate scoring functions.
711
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
TL;DR: Although MM/GBSA and MM/PBSA perform similarly in the unbiased dataset, for the currently available crystal structures in the PDBbind database, MM/ PBSA is more sensitive to the investigated systems, and may be more suitable for individual-target-level binding free energy ranking.
665
Polyamide nanofiltration membrane with highly uniform sub-nanometre pores for sub-1 Å precision separation.
Yuanzhe Liang,Yuanzhe Liang,Yuzhang Zhu,Cheng Liu,Kueir-Rarn Lee,Wei-Song Hung,Wei-Song Hung,Zhenyi Wang,Youyong Li,Menachem Elimelech,Jian Jin,Jian Jin,Shihong Lin +12 more
TL;DR: The authors demonstrate that precise solute-solute separation can be achieved using polyamide membranes formed via surfactant-assembly regulated interfacial polymerization, an approach for the scalable fabrication of ultra-selective membranes with uniform nanopores for precise separation of ions and small solutes.