Shen C - Search Results

1

Combined strategies in structure-based virtual screening.

Wang Z, Sun H, Shen C, Hu X, Gao J, Li D, Cao D, Hou T. Wang Z, et al. Among authors: shen c. Phys Chem Chem Phys. 2020 Feb 14;22(6):3149-3159. doi: 10.1039/c9cp06303j. Epub 2020 Jan 29. Phys Chem Chem Phys. 2020. PMID: 31995074 Review.

2

Comprehensive assessment of nine docking programs on type II kinase inhibitors: prediction accuracy of sampling power, scoring power and screening power.

Shen C, Wang Z, Yao X, Li Y, Lei T, Wang E, Xu L, Zhu F, Li D, Hou T. Shen C, et al. Brief Bioinform. 2020 Jan 17;21(1):282-297. doi: 10.1093/bib/bby103. Brief Bioinform. 2020. PMID: 30379986

3

A magic drug target: Androgen receptor.

Li D, Zhou W, Pang J, Tang Q, Zhong B, Shen C, Xiao L, Hou T. Li D, et al. Among authors: shen c. Med Res Rev. 2019 Sep;39(5):1485-1514. doi: 10.1002/med.21558. Epub 2018 Dec 19. Med Res Rev. 2019. PMID: 30569509 Review.

4

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. Front Pharmacol. 2019 Apr 9;10:345. doi: 10.3389/fphar.2019.00345. eCollection 2019. Front Pharmacol. 2019. PMID: 31024312 Free PMC article.

5

ADMET Evaluation in Drug Discovery. 19. Reliable Prediction of Human Cytochrome P450 Inhibition Using Artificial Intelligence Approaches.

Wu Z, Lei T, Shen C, Wang Z, Cao D, Hou T. Wu Z, et al. Among authors: shen c. J Chem Inf Model. 2019 Nov 25;59(11):4587-4601. doi: 10.1021/acs.jcim.9b00801. Epub 2019 Nov 5. J Chem Inf Model. 2019. PMID: 31644282

6

Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions.

Shen C, Hu Y, Wang Z, Zhang X, Zhong H, Wang G, Yao X, Xu L, Cao D, Hou T. Shen C, et al. Brief Bioinform. 2021 Jan 18;22(1):497-514. doi: 10.1093/bib/bbz173. Brief Bioinform. 2021. PMID: 31982914

7

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: shen c. 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

8

Synthesis and biological evaluation of heterocyclic bis-aryl amides as novel Src homology 2 domain containing protein tyrosine phosphatase-2 (SHP2) inhibitors.

Satheeshkumar R, Zhu R, Feng B, Huang C, Gao Y, Gao LX, Shen C, Hou TJ, Xu L, Li J, Zhu YL, Zhou YB, Wang WL. Satheeshkumar R, et al. Among authors: shen c. Bioorg Med Chem Lett. 2020 Jun 1;30(11):127170. doi: 10.1016/j.bmcl.2020.127170. Epub 2020 Apr 3. Bioorg Med Chem Lett. 2020. PMID: 32273218

9

Improving Docking-Based Virtual Screening Ability by Integrating Multiple Energy Auxiliary Terms from Molecular Docking Scoring.

Ye WL, Shen C, Xiong GL, Ding JJ, Lu AP, Hou TJ, Cao DS. Ye WL, et al. Among authors: shen c. J Chem Inf Model. 2020 Sep 28;60(9):4216-4230. doi: 10.1021/acs.jcim.9b00977. Epub 2020 May 11. J Chem Inf Model. 2020. PMID: 32352294

10

Beware of the generic machine learning-based scoring functions in structure-based virtual screening.

Shen C, Hu Y, Wang Z, Zhang X, Pang J, Wang G, Zhong H, Xu L, Cao D, Hou T. Shen C, et al. Brief Bioinform. 2021 May 20;22(3):bbaa070. doi: 10.1093/bib/bbaa070. Brief Bioinform. 2021. PMID: 32484221

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