Wang X - Search Results

1

Exploring the prominent performance of CX-4945 derivatives as protein kinase CK2 inhibitors by a combined computational study.

Wang X, Pan P, Li Y, Li D, Hou T. Wang X, et al. Mol Biosyst. 2014 May;10(5):1196-210. doi: 10.1039/c4mb00013g. Mol Biosyst. 2014. PMID: 24647611

2

farPPI: a webserver for accurate prediction of protein-ligand binding structures for small-molecule PPI inhibitors by MM/PB(GB)SA methods.

Wang Z, Wang X, Li Y, Lei T, Wang E, Li D, Kang Y, Zhu F, Hou T. Wang Z, et al. Among authors: wang x, wang e. Bioinformatics. 2019 May 15;35(10):1777-1779. doi: 10.1093/bioinformatics/bty879. Bioinformatics. 2019. PMID: 30329012

3

Communication between the Ligand-Binding Pocket and the Activation Function-2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations.

Jin Y, Duan M, Wang X, Kong X, Zhou W, Sun H, Liu H, Li D, Yu H, Li Y, Hou T. Jin Y, et al. Among authors: wang x. J Chem Inf Model. 2019 Feb 25;59(2):842-857. doi: 10.1021/acs.jcim.8b00796. Epub 2019 Feb 6. J Chem Inf Model. 2019. PMID: 30658039

4

Drug Discovery Targeting Anaplastic Lymphoma Kinase (ALK).

Kong X, Pan P, Sun H, Xia H, Wang X, Li Y, Hou T. Kong X, et al. Among authors: wang x. J Med Chem. 2019 Dec 26;62(24):10927-10954. doi: 10.1021/acs.jmedchem.9b00446. Epub 2019 Aug 26. J Med Chem. 2019. PMID: 31419130 Review.

5

Reliability of Docking-Based Virtual Screening for GPCR Ligands with Homology Modeled Structures: A Case Study of the Angiotensin II Type I Receptor.

Chen H, Fu W, Wang Z, Wang X, Lei T, Zhu F, Li D, Chang S, Xu L, Hou T. Chen H, et al. Among authors: wang x, wang z. ACS Chem Neurosci. 2019 Jan 16;10(1):677-689. doi: 10.1021/acschemneuro.8b00489. Epub 2018 Oct 17. ACS Chem Neurosci. 2019. PMID: 30265513

6

Importance of a crystalline water network in docking-based virtual screening: a case study of BRD4.

Zhong H, Wang Z, Wang X, Liu H, Li D, Liu H, Yao X, Hou T. Zhong H, et al. Among authors: wang x, wang z. Phys Chem Chem Phys. 2019 Dec 7;21(45):25276-25289. doi: 10.1039/c9cp04290c. Epub 2019 Nov 8. Phys Chem Chem Phys. 2019. PMID: 31701109

7

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

Tang Q, Fu W, Zhang M, Wang E, Shan L, Chai X, Pang J, Wang X, Xu X, Xu L, Li D, Sheng R, Hou T. Tang Q, et al. Among authors: wang x, wang e. Eur J Med Chem. 2020 Apr 15;192:112156. doi: 10.1016/j.ejmech.2020.112156. Epub 2020 Feb 21. Eur J Med Chem. 2020. PMID: 32114360

8

Advances in the computational development of androgen receptor antagonists.

Hu X, Chai X, Wang X, Duan M, Pang J, Fu W, Li D, Hou T. Hu X, et al. Among authors: wang x. Drug Discov Today. 2020 Aug;25(8):1453-1461. doi: 10.1016/j.drudis.2020.04.004. Epub 2020 May 18. Drug Discov Today. 2020. PMID: 32439609 Review.

9

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

Hu X, Pang J, Zhang J, Shen C, Chai X, Wang E, Chen H, Wang X, Duan M, Fu W, Xu L, Kang Y, Li D, Xia H, Hou T. Hu X, et al. Among authors: wang x, wang e. Adv Sci (Weinh). 2022 Jan;9(3):e2102435. doi: 10.1002/advs.202102435. Epub 2021 Nov 26. Adv Sci (Weinh). 2022. PMID: 34825505 Free PMC article.

10

Structure-Based Drug Design and Identification of H₂O-Soluble and Low Toxic Hexacyclic Camptothecin Derivatives with Improved Efficacy in Cancer and Lethal Inflammation Models in Vivo.

Pan P, Chen J, Li X, Li M, Yu H, Zhao JJ, Ni J, Wang X, Sun H, Tian S, Zhu F, Liu F, Huang Y, Hou T. Pan P, et al. Among authors: wang x. J Med Chem. 2018 Oct 11;61(19):8613-8624. doi: 10.1021/acs.jmedchem.8b00498. Epub 2018 Sep 27. J Med Chem. 2018. PMID: 30227711 Free PMC article.

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