Wang X - Search Results

1

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

2

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

3

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.

4

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

5

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

6

Importance of Incorporating Protein Flexibility in Molecule Modeling: A Theoretical Study on Type I^1/2 NIK Inhibitors.

Shen C, Liu H, Wang X, Lei T, Wang E, Xu L, Yu H, Li D, Yao X. Shen C, et al. Among authors: wang x, wang e. Front Pharmacol. 2019 Apr 9;10:345. doi: 10.3389/fphar.2019.00345. eCollection 2019. Front Pharmacol. 2019. PMID: 31024312 Free PMC article.

7

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.

8

DNA methyltransferases: emerging targets for the discovery of inhibitors as potent anticancer drugs.

Yu J, Xie T, Wang Z, Wang X, Zeng S, Kang Y, Hou T. Yu J, et al. Among authors: wang x, wang z. Drug Discov Today. 2019 Dec;24(12):2323-2331. doi: 10.1016/j.drudis.2019.08.006. Epub 2019 Sep 5. Drug Discov Today. 2019. PMID: 31494187 Review.

9

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

10

Binding affinity and dissociation pathway predictions for a series of USP7 inhibitors with pyrimidinone scaffold by multiple computational methods.

Wang Z, Wang X, Kang Y, Zhong H, Shen C, Yao X, Cao D, Hou T. Wang Z, et al. Among authors: wang x. Phys Chem Chem Phys. 2020 Mar 14;22(10):5487-5499. doi: 10.1039/d0cp00370k. Epub 2020 Feb 26. Phys Chem Chem Phys. 2020. PMID: 32101223

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