Xin Chai

发表

Discovery of a Novel Androgen Receptor Antagonist Manifesting Evidence to Disrupt the Dimerization of the Ligand-Binding Domain via Attenuating the Hydrogen-Bonding Network Between the Two Monomers.

Dan Li, Tingjun Hou, Mojie Duan, 2021, Journal of medicinal chemistry.

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.

Novel androgen receptor antagonist identified by structure-based virtual screening, structural optimization, and biological evaluation.

Dan Li, Tingjun Hou, Lei Xu, 2020, European journal of medicinal chemistry.

Opportunities for overcoming tuberculosis: emerging targets and their inhibitors.

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

Discovery of a novel nonsteroidal selective glucocorticoid receptor modulator by virtual screening and bioassays

Dan Li, Feng Zhu, Tingjun Hou, 2022, Acta Pharmacologica Sinica.

Discovery of novel non-nucleoside inhibitors with high potency and selectivity for DNA methyltransferase 3A.

Dan Li, Tingjun Hou, Zhe Wang, 2022, European journal of medicinal chemistry.

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.

Comprehensive assessment of deep generative architectures for de novo drug design

Honglin Li, Jike Wang, Huiyong Sun, 2021, Briefings Bioinform..

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, 2021, Acta Pharmacologica Sinica.

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.

Computationally guided discovery of novel non-steroidal AR-GR dual antagonists demonstrating potency against antiandrogen resistance

Dan Li, Tingjun Hou, Lei Xu, 2023, Acta Pharmacologica Sinica.

Discovery of novel DprE1 inhibitors via computational bioactivity fingerprints and structure-based virtual screening

K. Wan, Zhe Wang, Tianyu Zhang, 2021, Acta Pharmacologica Sinica.

Discovery of novel DprE1 inhibitors via computational bioactivity fingerprints and structure-based virtual screening

K. Wan, Dan Li, Tingjun Hou, 2021, Acta Pharmacologica Sinica.

Discovery of N-(4-(Benzyloxy)-phenyl)-sulfonamide Derivatives as Novel Antagonists of the Human Androgen Receptor Targeting the Activation Function 2.

Huiyong Sun, Dan Li, Tingjun Hou, 2022, Journal of medicinal chemistry.

CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors

Dong-Sheng Cao, Dan Li, Tingjun Hou, 2020, Nucleic Acids Res..

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.

Accuracy or novelty: what can we gain from target-specific machine-learning-based scoring functions in virtual screening?

Dan Li, Tingjun Hou, Jinping Pang, 2021, Briefings Bioinform..

Identification of active molecules against Mycobacterium tuberculosis through machine learning

Dan Li, Tingjun Hou, Xin Chai, 2021, Briefings Bioinform..

Deep learning approaches for de novo drug design: An overview.

Jike Wang, Huiyong Sun, Tingjun Hou, 2021, Current opinion in structural biology.

Discovery of Novel Anti‐Resistance AR Antagonists Guided by Funnel Metadynamics Simulation

Dan Li, Mojie Duan, Zhe Wang, 2024, Advanced science.