Xueping Hu

发表

Steered molecular dynamics for studying ligand unbinding of ecdysone receptor

Song Hu, Jiazhe Wang, Li Zhang, 2018, Journal of biomolecular structure & dynamics.

Advances in the computational development of androgen receptor antagonists.

Dan Li, Tingjun Hou, Mojie Duan, 2020, Drug discovery today.

Discovery of novel non-steroidal selective glucocorticoid receptor modulators by structure- and IGN-based virtual screening, structural optimization, and biological evaluation.

Dan Li, Tingjun Hou, Chao Shen, 2022, European journal of medicinal chemistry.

Opportunities for overcoming tuberculosis: emerging targets and their inhibitors.

Dan Li, Tingjun Hou, Xueping Hu, 2021, Drug discovery today.

Identification of 1‐phenyl‐4‐cyano‐5‐aminopyrazoles as novel ecdysone receptor ligands by virtual screening, structural optimization, and biological evaluations

J. Xie, Haishan Liu, Bin Zhu, 2020, Chemical biology & drug design.

Identification of novel agonists and antagonists of the ecdysone receptor by virtual screening.

G. Smagghe, L. Swevers, Xinling Yang, 2018, Journal of molecular graphics & modelling.

Design, synthesis and biological activity of novel substituted pyrazole amide derivatives targeting EcR/USP receptor

J. Xie, Xi-le Deng, Xinling Yang, 2016 .

Target-based design, synthesis and biological activity of new pyrazole amide derivatives

Xi-le Deng, Xinling Yang, Li Zhang, 2016 .

Exploration of the binding affinities between ecdysone agonists and EcR/USP by docking and MM-PB/GBSA approaches

J. Xie, Song Hu, Li Zhang, 2017, Journal of Molecular Modeling.

The impact of cross-docked poses on performance of machine learning classifier for protein–ligand binding pose prediction

Tingjun Hou, Lei Xu, Zhe Wang, 2021, Journal of Cheminformatics.

Discovery and Optimization of N-Acyl-6-sulfonamide-tetrahydroquinoline Derivatives as Novel Non-Steroidal Selective Glucocorticoid Receptor Modulators.

Dan Li, Tingjun Hou, Jiajia Wang, 2022, Journal of medicinal chemistry.

The structure of erastin-bound xCT–4F2hc complex reveals molecular mechanisms underlying erastin-induced ferroptosis

B. Stockwell, Tingjun Hou, R. Yan, 2022, Cell Research.

Novel Trifluoromethyl Sydnone Derivatives: Design, Synthesis and Fungicidal activity.

X. Qian, X. Shao, Shaoqing Du, 2021, Bioorganic & medicinal chemistry letters.

Discovery of Novel GR Ligands toward Druggable GR Antagonist Conformations Identified by MD Simulations and Markov State Model Analysis

Dan Li, Tingjun Hou, Mojie Duan, 2021, Advanced science.

Synthesis and Biological Activity of Novel Antifungal Leads: 3,5-Dichlorobenzyl Ester Derivatives.

X. Qian, X. Shao, Shaoqing Du, 2021, Journal of agricultural and food chemistry.

Discovery of novel antagonists targeting the DNA binding domain of androgen receptor by integrated docking-based virtual screening and bioassays

Dan Li, Feng Zhu, Tingjun Hou, 2020, Acta Pharmacologica Sinica.

Comprehensive Evaluation of Fourteen Docking Programs on Protein-Peptide Complexes and A New Strategy for Improving the Performance of Global Docking.

Tingjun Hou, Dongsheng Cao, Xiaojun Yao, 2020, Journal of chemical theory and computation.

Combined strategies in structure-based virtual screening.

Tingjun Hou, Dongsheng Cao, Huiyong Sun, 2020, Physical chemistry chemical physics : PCCP.

Discovery of a Novel Fusarium Graminearum Mitogen-Activated Protein Kinase (FgGpmk1) Inhibitor for the Treatment of Fusarium Head Blight.

Tingjun Hou, Lei Xu, Ercheng Wang, 2021, Journal of medicinal chemistry.

Discovery of 2-(1-(3-Chloro-4-cyanophenyl)-1H-pyrazol-3-yl)acetamides as Potent, Selective, and Orally Available Antagonists Targeting the Androgen Receptor.

Dan Li, Tingjun Hou, Sunliang Cui, 2022, Journal of medicinal chemistry.

Discovery of novel iminosydnone compounds with insecticidal activities based on the binding mode of triflumezopyrim.

X. Qian, Jiagao Cheng, Xiaoqun Jiang, 2021, Bioorganic & medicinal chemistry letters.