Cong Y - Search Results

1

The impact of interior dielectric constant and entropic change on HIV-1 complex binding free energy prediction.

Li Y, Cong Y, Feng G, Zhong S, Zhang JZH, Sun H, Duan L. Li Y, et al. Among authors: cong y. Struct Dyn. 2018 Dec 14;5(6):064101. doi: 10.1063/1.5058172. eCollection 2018 Nov. Struct Dyn. 2018. PMID: 30868080 Free PMC article.

2

Trypsin-Ligand binding affinities calculated using an effective interaction entropy method under polarized force field.

Cong Y, Li M, Feng G, Li Y, Wang X, Duan L. Cong Y, et al. Sci Rep. 2017 Dec 18;7(1):17708. doi: 10.1038/s41598-017-17868-z. Sci Rep. 2017. PMID: 29255159 Free PMC article.

3

Exploring the Reasons for Decrease in Binding Affinity of HIV-2 Against HIV-1 Protease Complex Using Interaction Entropy Under Polarized Force Field.

Cong Y, Li Y, Jin K, Zhong S, Zhang JZH, Li H, Duan L. Cong Y, et al. Front Chem. 2018 Aug 24;6:380. doi: 10.3389/fchem.2018.00380. eCollection 2018. Front Chem. 2018. PMID: 30197882 Free PMC article.

4

Insight Into the Binding Mechanism of p53/pDIQ-MDMX/MDM2 With the Interaction Entropy Method.

Li M, Cong Y, Li Y, Zhong S, Wang R, Li H, Duan L. Li M, et al. Among authors: cong y. Front Chem. 2019 Jan 29;7:33. doi: 10.3389/fchem.2019.00033. eCollection 2019. Front Chem. 2019. PMID: 30761293 Free PMC article.

5

Accelerated Molecular Dynamics Simulation for Helical Proteins Folding in Explicit Water.

Duan L, Guo X, Cong Y, Feng G, Li Y, Zhang JZH. Duan L, et al. Among authors: cong y. Front Chem. 2019 Aug 6;7:540. doi: 10.3389/fchem.2019.00540. eCollection 2019. Front Chem. 2019. PMID: 31448259 Free PMC article.

6

Drug-resistance mechanisms of three mutations in anaplastic lymphoma kinase against two inhibitors based on MM/PBSA combined with interaction entropy.

Xiao Z, Cong Y, Huang K, Zhong S, Zhang JZH, Duan L. Xiao Z, et al. Among authors: cong y. Phys Chem Chem Phys. 2019 Oct 7;21(37):20951-20964. doi: 10.1039/c9cp02851j. Epub 2019 Sep 16. Phys Chem Chem Phys. 2019. PMID: 31524891

7

Alanine scanning combined with interaction entropy studying the differences of binding mechanism on HIV-1 and HIV-2 proteases with inhibitor.

Cong Y, Duan L, Huang K, Bao J, Zhang JZH. Cong Y, et al. J Biomol Struct Dyn. 2021 Mar;39(5):1588-1599. doi: 10.1080/07391102.2020.1734488. Epub 2020 Mar 6. J Biomol Struct Dyn. 2021. PMID: 32100625

8

Entropic effect and residue specific entropic contribution to the cooperativity in streptavidin-biotin binding.

Cong Y , Huang K , Li Y , Zhong S , Zhang JZH , Duan L . Cong Y , et al. Nanoscale. 2020 Apr 7;12(13):7134-7145. doi: 10.1039/c9nr08380d. Epub 2020 Mar 19. Nanoscale. 2020. PMID: 32191786

9

An Energy Optimization Strategy Based on the Perfect Conformation of Prolyl Endopeptidase for Improving Catalytic Efficiency.

Li X, Cong Y, Ma M, You ZN, Gao B, Zhang JZH, Zhang L. Li X, et al. Among authors: cong y. J Agric Food Chem. 2020 May 6;68(18):5129-5137. doi: 10.1021/acs.jafc.0c00731. Epub 2020 Apr 27. J Agric Food Chem. 2020. PMID: 32297517

10

Molecular Mechanism of Selective Binding of NMS-P118 to PARP-1 and PARP-2: A Computational Perspective.

Wang R, Cong Y, Li M, Bao J, Qi Y, Zhang JZH. Wang R, et al. Among authors: cong y. Front Mol Biosci. 2020 Apr 15;7:50. doi: 10.3389/fmolb.2020.00050. eCollection 2020. Front Mol Biosci. 2020. PMID: 32373627 Free PMC article.

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