30784262 36680931 30689717 31917380 31251747 31660263 31545898 32073004 34056358 31258068 34426411 31197323 33977725 30609812 30842738 31350824 33122823 36342274 32043094 34596645 32459964 31433754 33682763 34985081 30776002 31504150 - Search Results

Year	Number of Results
2019	9
2020	9
2021	6
2022	3
2023	1

1

How Does Chirality Determine the Selective Inhibition of Histone Deacetylase 6? A Lesson from Trichostatin A Enantiomers Based on Molecular Dynamics.

Zhang Y, Ying JB, Hong JJ, Li FC, Fu TT, Yang FY, Zheng GX, Yao XJ, Lou Y, Qiu Y, Xue WW, Zhu F. Zhang Y, et al. ACS Chem Neurosci. 2019 May 15;10(5):2467-2480. doi: 10.1021/acschemneuro.8b00729. Epub 2019 Feb 26. ACS Chem Neurosci. 2019. PMID: 30784262

2

A systematic review of state-of-the-art strategies for machine learning-based protein function prediction.

Yan TC, Yue ZX, Xu HQ, Liu YH, Hong YF, Chen GX, Tao L, Xie T. Yan TC, et al. Comput Biol Med. 2022 Dec 21;154:106446. doi: 10.1016/j.compbiomed.2022.106446. Online ahead of print. Comput Biol Med. 2022. PMID: 36680931 Review.

3

Clinical trials, progression-speed differentiating features and swiftness rule of the innovative targets of first-in-class drugs.

Li YH, Li XX, Hong JJ, Wang YX, Fu JB, Yang H, Yu CY, Li FC, Hu J, Xue WW, Jiang YY, Chen YZ, Zhu F. Li YH, et al. Brief Bioinform. 2020 Mar 23;21(2):649-662. doi: 10.1093/bib/bby130. Brief Bioinform. 2020. PMID: 30689717 Free PMC article.

4

Molecular mechanism with regard to the binding selectivity of inhibitors toward FABP5 and FABP7 explored by multiple short molecular dynamics simulations and free energy analyses.

Chen J, Liu X, Zhang S, Chen J, Sun H, Zhang L, Zhang Q. Chen J, et al. Phys Chem Chem Phys. 2020 Jan 28;22(4):2262-2275. doi: 10.1039/c9cp05704h. Epub 2020 Jan 9. Phys Chem Chem Phys. 2020. PMID: 31917380

5

A structural model of the human serotonin transporter in an outward-occluded state.

Hellsberg E, Ecker GF, Stary-Weinzinger A, Forrest LR. Hellsberg E, et al. PLoS One. 2019 Jun 28;14(6):e0217377. doi: 10.1371/journal.pone.0217377. eCollection 2019. PLoS One. 2019. PMID: 31251747 Free PMC article.

6

Exploration of the selective binding mechanism of protein kinase Aurora A selectivity via a comprehensive molecular modeling study.

Zhang Z, Xu Y, Wu J, Shen Y, Cheng H, Xiang Y. Zhang Z, et al. PeerJ. 2019 Oct 22;7:e7832. doi: 10.7717/peerj.7832. eCollection 2019. PeerJ. 2019. PMID: 31660263 Free PMC article.

7

Molecular Mechanism of Binding Selectivity of Inhibitors toward BACE1 and BACE2 Revealed by Multiple Short Molecular Dynamics Simulations and Free-Energy Predictions.

Chen J, Wang J, Yin B, Pang L, Wang W, Zhu W. Chen J, et al. ACS Chem Neurosci. 2019 Oct 16;10(10):4303-4318. doi: 10.1021/acschemneuro.9b00348. Epub 2019 Oct 2. ACS Chem Neurosci. 2019. PMID: 31545898

8

The binding mode of vilazodone in the human serotonin transporter elucidated by ligand docking and molecular dynamics simulations.

Zhang Y , Zheng G , Fu T , Hong J , Li F , Yao X , Xue W , Zhu F . Zhang Y , et al. Phys Chem Chem Phys. 2020 Mar 7;22(9):5132-5144. doi: 10.1039/c9cp05764a. Epub 2020 Feb 19. Phys Chem Chem Phys. 2020. PMID: 32073004

9

Binding Selectivity of Inhibitors toward Bromodomains BAZ2A and BAZ2B Uncovered by Multiple Short Molecular Dynamics Simulations and MM-GBSA Calculations.

Wang L, Wang Y, Yang Z, Xu S, Li H. Wang L, et al. ACS Omega. 2021 Apr 28;6(18):12036-12049. doi: 10.1021/acsomega.1c00687. eCollection 2021 May 11. ACS Omega. 2021. PMID: 34056358 Free PMC article.

10

Recent Technological Advances in the Mass Spectrometry-based Nanomedicine Studies: An Insight from Nanoproteomics.

Tang J, Wang Y, Li Y, Zhang Y, Zhang R, Xiao Z, Luo Y, Guo X, Tao L, Lou Y, Xue W, Zhu F. Tang J, et al. Curr Pharm Des. 2019;25(13):1536-1553. doi: 10.2174/1381612825666190618123306. Curr Pharm Des. 2019. PMID: 31258068 Review.

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