Wei-Ya Li

发表

Investigating the reason for loss-of-function of Src homology 2 domain-containing protein tyrosine phosphatase 2 (SHP2) caused by Y279C mutation through molecular dynamics simulation

Runling Wang, Ying-Hong Ma, Rui-Rui Wang, 2020, Journal of biomolecular structure & dynamics.

Design potential selective inhibitors for human leukocyte common antigen-related (PTP-LAR) with fragment replace approach

Runling Wang, Zhihui Zheng, Xin-Hua Lu, 2019, Journal of biomolecular structure & dynamics.

Exploring the effect of inhibitor AKB‐9778 on VE‐PTP by molecular docking and molecular dynamics simulation

Runling Wang, Ying-Hong Ma, Rui-Rui Wang, 2019, Journal of cellular biochemistry.

Identification of novel inhibitor of protein tyrosine phosphatases delta: structure-based pharmacophore modeling, virtual screening, flexible docking, molecular dynamics simulation, and post-molecular dynamics analysis

Runling Wang, Zhihui Zheng, Xin-Hua Lu, 2020, Journal of biomolecular structure & dynamics.

Exploring the effect of E76K mutation on SHP2 cause gain‐of‐function activity by a molecular dynamics study

Runling Wang, Ying-Hong Ma, Wei-Ya Li, 2018, Journal of cellular biochemistry.

Identification of protein tyrosine phosphatase 1B (PTP1B) inhibitors through De Novo Evoluton, synthesis, biological evaluation and molecular dynamics simulation.

Runling Wang, Liang Zhou, Jingwei Wu, 2020, Biochemical and biophysical research communications.

Exploring the effect of N308D mutation on protein tyrosine phosphatase‐2 cause gain‐of‐function activity by a molecular dynamics study

Ying-Hong Ma, Rui-Rui Wang, Wei-Ya Li, 2018, Journal of cellular biochemistry.

Identification of potential leukocyte antigen-related protein (PTP-LAR) inhibitors through 3D QSAR pharmacophore-based virtual screening and molecular dynamics simulation

Runling Wang, Zhihui Zheng, Xin-Hua Lu, 2020, Journal of biomolecular structure & dynamics.

Identification of the potential dual inhibitor of protein tyrosine phosphatase sigma and leukocyte common antigen-related phosphatase by virtual screen, molecular dynamic simulations and post-analysis

Runling Wang, Ying-Hong Ma, Liang Zhou, 2019, Journal of biomolecular structure & dynamics.

Design, synthesis, biological evaluation, common feature pharmacophore model and molecular dynamics simulation studies of ethyl 4-(phenoxymethyl)-2-phenylthiazole-5-carboxylate as Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) inhibitors

Runling Wang, Zhihui Zheng, Huan Zhang, 2020, Journal of biomolecular structure & dynamics.

Scaffold-based selective SHP2 inhibitors design using core hopping, molecular docking, biological evaluation and molecular simulation.

Runling Wang, Xin-Hua Lu, Ying-Hong Ma, 2020, Bioorganic chemistry.

Exploring the mechanism of C473D mutation on CDC25B causing weak binding affinity with CDK2/CyclinA by molecular dynamics study.

Runling Wang, Ying-Hong Ma, Wei-Ya Li, 2023, Journal of biomolecular structure & dynamics.

Design, synthesis and biological evaluation of pyridine derivatives as selective SHP2 inhibitors.

Runling Wang, Ying-Hong Ma, Rui-Rui Wang, 2020, Bioorganic chemistry.

Exploring the reason for increased activity of SHP2 caused by D61Y mutation through molecular dynamics

Hui Zhou, Ying Ma, Shan Du, 2019, Comput. Biol. Chem..

Structure-based discovery of a specific SHP2 inhibitor with enhanced blood-brain barrier penetration from PubChem database.

Runling Wang, Xin-Hua Lu, Ying-Hong Ma, 2022, Bioorganic chemistry.

Structure based design of selective SHP2 inhibitors by De novo design, synthesis and biological evaluation

Liang Zhou, Wen-Yan Jin, Wei-Ya Li, 2019, Journal of Computer-Aided Molecular Design.

Scaffold-based novel SHP2 allosteric inhibitors design using Receptor-Ligand pharmacophore model, virtual screening and molecular dynamics

Ying Ma, Hong-Lian Li, Wen-Yan Jin, 2018, Comput. Biol. Chem..

Exploring the mechanism of the potent allosteric inhibitor compound2 on SHP2 WT and SHP2F285S by molecular dynamics study.

Runling Wang, Xin-Hua Lu, Ying-Hong Ma, 2020, Journal of molecular graphics & modelling.

Exploring the dynamic mechanism of allosteric drug SHP099 inhibiting SHP2E69K

Runling Wang, Xin-Hua Lu, Ying-Hong Ma, 2021, Molecular diversity.

Exploring the dynamic mechanism of allosteric drug SHP099 inhibiting SHP2E69K

Runling Wang, Xin-Hua Lu, Ying-Hong Ma, 2021, Molecular Diversity.

Molecular dynamics study of CDC25BR492L mutant causing the activity decrease of CDC25B.

Runling Wang, Ying-Hong Ma, Wen-yu Yang, 2021, Journal of molecular graphics & modelling.