Zhu F - Search Results

1

Assessing the performance of MM/PBSA and MM/GBSA methods. 7. Entropy effects on the performance of end-point binding free energy calculation approaches.

Sun H , Duan L , Chen F , Liu H , Wang Z , Pan P , Zhu F , Zhang JZH , Hou T . Sun H , et al. Among authors: zhu f. Phys Chem Chem Phys. 2018 May 30;20(21):14450-14460. doi: 10.1039/c7cp07623a. Phys Chem Chem Phys. 2018. PMID: 29785435

2

Discovery of Novel and Selective Adenosine A_2A Receptor Antagonists for Treating Parkinson's Disease through Comparative Structure-Based Virtual Screening.

Tian S, Wang X, Li L, Zhang X, Li Y, Zhu F, Hou T, Zhen X. Tian S, et al. Among authors: zhu f. J Chem Inf Model. 2017 Jun 26;57(6):1474-1487. doi: 10.1021/acs.jcim.7b00188. Epub 2017 May 15. J Chem Inf Model. 2017. PMID: 28463561

3

How Does the L884P Mutation Confer Resistance to Type-II Inhibitors of JAK2 Kinase: A Comprehensive Molecular Modeling Study.

Kong X, Sun H, Pan P, Li D, Zhu F, Chang S, Xu L, Li Y, Hou T. Kong X, et al. Among authors: zhu f. Sci Rep. 2017 Aug 22;7(1):9088. doi: 10.1038/s41598-017-09586-3. Sci Rep. 2017. PMID: 28831147 Free PMC article.

4

ADMET Evaluation in Drug Discovery. 18. Reliable Prediction of Chemical-Induced Urinary Tract Toxicity by Boosting Machine Learning Approaches.

Lei T, Sun H, Kang Y, Zhu F, Liu H, Zhou W, Wang Z, Li D, Li Y, Hou T. Lei T, et al. Among authors: zhu f. Mol Pharm. 2017 Nov 6;14(11):3935-3953. doi: 10.1021/acs.molpharmaceut.7b00631. Epub 2017 Oct 27. Mol Pharm. 2017. PMID: 29037046

5

Combating Drug-Resistant Mutants of Anaplastic Lymphoma Kinase with Potent and Selective Type-I^1/2 Inhibitors by Stabilizing Unique DFG-Shifted Loop Conformation.

Pan P, Yu H, Liu Q, Kong X, Chen H, Chen J, Liu Q, Li D, Kang Y, Sun H, Zhou W, Tian S, Cui S, Zhu F, Li Y, Huang Y, Hou T. Pan P, et al. Among authors: zhu f. ACS Cent Sci. 2017 Nov 22;3(11):1208-1220. doi: 10.1021/acscentsci.7b00419. Epub 2017 Nov 3. ACS Cent Sci. 2017. PMID: 29202023 Free PMC article.

6

HawkRank: a new scoring function for protein-protein docking based on weighted energy terms.

Feng T, Chen F, Kang Y, Sun H, Liu H, Li D, Zhu F, Hou T. Feng T, et al. Among authors: zhu f. J Cheminform. 2017 Dec 28;9(1):66. doi: 10.1186/s13321-017-0254-7. J Cheminform. 2017. PMID: 29282565 Free PMC article.

7

Importance of protein flexibility in molecular recognition: a case study on Type-I1/2 inhibitors of ALK.

Kong X , Sun H , Pan P , Zhu F , Chang S , Xu L , Li Y , Hou T . Kong X , et al. Among authors: zhu f. Phys Chem Chem Phys. 2018 Feb 14;20(7):4851-4863. doi: 10.1039/c7cp08241j. Phys Chem Chem Phys. 2018. PMID: 29383359

8

Computational identification of the binding mechanism of a triple reuptake inhibitor amitifadine for the treatment of major depressive disorder.

Xue W , Wang P , Tu G , Yang F , Zheng G , Li X , Li X , Chen Y , Yao X , Zhu F . Xue W , et al. Among authors: zhu f. Phys Chem Chem Phys. 2018 Feb 28;20(9):6606-6616. doi: 10.1039/c7cp07869b. Phys Chem Chem Phys. 2018. PMID: 29451287

9

Cheminformatic Insight into the Differences between Terrestrial and Marine Originated Natural Products.

Shang J, Hu B, Wang J, Zhu F, Kang Y, Li D, Sun H, Kong DX, Hou T. Shang J, et al. Among authors: zhu f. J Chem Inf Model. 2018 Jun 25;58(6):1182-1193. doi: 10.1021/acs.jcim.8b00125. Epub 2018 Jun 7. J Chem Inf Model. 2018. PMID: 29792805

10

Assessing the performance of MM/PBSA and MM/GBSA methods. 8. Predicting binding free energies and poses of protein-RNA complexes.

Chen F, Sun H, Wang J, Zhu F, Liu H, Wang Z, Lei T, Li Y, Hou T. Chen F, et al. Among authors: zhu f. RNA. 2018 Sep;24(9):1183-1194. doi: 10.1261/rna.065896.118. Epub 2018 Jun 21. RNA. 2018. PMID: 29930024 Free PMC article.

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