Chen F - Search Results

1

Prediction of luciferase inhibitors by the high-performance MIEC-GBDT approach based on interaction energetic patterns.

Chen F, Sun H, Liu H, Li D, Li Y, Hou T. Chen F, et al. Phys Chem Chem Phys. 2017 Apr 12;19(15):10163-10176. doi: 10.1039/c6cp08232g. Phys Chem Chem Phys. 2017. PMID: 28374029

2

Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein-protein binding free energies and re-rank binding poses generated by protein-protein docking.

Chen F, Liu H, Sun H, Pan P, Li Y, Li D, Hou T. Chen F, et al. Phys Chem Chem Phys. 2016 Aug 10;18(32):22129-39. doi: 10.1039/c6cp03670h. Phys Chem Chem Phys. 2016. PMID: 27444142

3

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: chen f. Phys Chem Chem Phys. 2018 May 30;20(21):14450-14460. doi: 10.1039/c7cp07623a. Phys Chem Chem Phys. 2018. PMID: 29785435

4

Assessing the performance of MM/PBSA and MM/GBSA methods. 9. Prediction reliability of binding affinities and binding poses for protein-peptide complexes.

Weng G , Wang E , Chen F , Sun H , Wang Z , Hou T . Weng G , et al. Among authors: chen f. Phys Chem Chem Phys. 2019 May 15;21(19):10135-10145. doi: 10.1039/c9cp01674k. Phys Chem Chem Phys. 2019. PMID: 31062799

5

Assessing the performance of the MM/PBSA and MM/GBSA methods. 10. Impacts of enhanced sampling and variable dielectric model on protein-protein Interactions.

Wang E, Weng G, Sun H, Du H, Zhu F, Chen F, Wang Z, Hou T. Wang E, et al. Among authors: chen f. Phys Chem Chem Phys. 2019 Sep 21;21(35):18958-18969. doi: 10.1039/c9cp04096j. Epub 2019 Aug 27. Phys Chem Chem Phys. 2019. PMID: 31453590

6

Improving the Efficiency of Non-equilibrium Sampling in the Aqueous Environment via Implicit-Solvent Simulations.

Liu H, Chen F, Sun H, Li D, Hou T. Liu H, et al. Among authors: chen f. J Chem Theory Comput. 2017 Apr 11;13(4):1827-1836. doi: 10.1021/acs.jctc.6b01139. Epub 2017 Mar 23. J Chem Theory Comput. 2017. PMID: 28297603

7

ADMET Evaluation in Drug Discovery. Part 17: Development of Quantitative and Qualitative Prediction Models for Chemical-Induced Respiratory Toxicity.

Lei T, Chen F, Liu H, Sun H, Kang Y, Li D, Li Y, Hou T. Lei T, et al. Among authors: chen f. Mol Pharm. 2017 Jul 3;14(7):2407-2421. doi: 10.1021/acs.molpharmaceut.7b00317. Epub 2017 Jun 21. Mol Pharm. 2017. PMID: 28595388

8

Comparative analyses of structural features and scaffold diversity for purchasable compound libraries.

Shang J, Sun H, Liu H, Chen F, Tian S, Pan P, Li D, Kong D, Hou T. Shang J, et al. Among authors: chen f. J Cheminform. 2017 Apr 21;9(1):25. doi: 10.1186/s13321-017-0212-4. J Cheminform. 2017. PMID: 29086044 Free PMC article.

9

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: chen f. J Cheminform. 2017 Dec 28;9(1):66. doi: 10.1186/s13321-017-0254-7. J Cheminform. 2017. PMID: 29282565 Free PMC article.

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. 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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