Liu X - Search Results

1

Interaction Entropy: A New Paradigm for Highly Efficient and Reliable Computation of Protein-Ligand Binding Free Energy.

Duan L, Liu X, Zhang JZ. Duan L, et al. Among authors: liu x. J Am Chem Soc. 2016 May 4;138(17):5722-8. doi: 10.1021/jacs.6b02682. Epub 2016 Apr 20. J Am Chem Soc. 2016. PMID: 27058988

2

PBSA_E: A PBSA-Based Free Energy Estimator for Protein-Ligand Binding Affinity.

Liu X, Liu J, Zhu T, Zhang L, He X, Zhang JZ. Liu X, et al. Among authors: liu j. J Chem Inf Model. 2016 May 23;56(5):854-61. doi: 10.1021/acs.jcim.6b00001. Epub 2016 May 2. J Chem Inf Model. 2016. PMID: 27088302

3

Computational Alanine Scanning with Interaction Entropy for Protein-Ligand Binding Free Energies.

Liu X, Peng L, Zhou Y, Zhang Y, Zhang JZH. Liu X, et al. J Chem Theory Comput. 2018 Mar 13;14(3):1772-1780. doi: 10.1021/acs.jctc.7b01295. Epub 2018 Feb 15. J Chem Theory Comput. 2018. PMID: 29406753

4

Accurate and Efficient Calculation of Protein-Protein Binding Free Energy-Interaction Entropy with Residue Type-Specific Dielectric Constants.

Liu X, Peng L, Zhang JZH. Liu X, et al. J Chem Inf Model. 2019 Jan 28;59(1):272-281. doi: 10.1021/acs.jcim.8b00248. Epub 2018 Nov 27. J Chem Inf Model. 2019. PMID: 30431271

5

Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host-guest binding: I. Standard procedure.

Liu X, Zheng L, Qin C, Zhang JZH, Sun Z. Liu X, et al. J Comput Aided Mol Des. 2022 Oct;36(10):735-752. doi: 10.1007/s10822-022-00475-0. Epub 2022 Sep 22. J Comput Aided Mol Des. 2022. PMID: 36136209

6

Understanding the selectivity of inhibitors toward PI4KIIIα and PI4KIIIβ based molecular modeling.

Tian S , Zeng J , Liu X , Chen J , Zhang JZH , Zhu T . Tian S , et al. Among authors: liu x. Phys Chem Chem Phys. 2019 Oct 9;21(39):22103-22112. doi: 10.1039/c9cp03598b. Phys Chem Chem Phys. 2019. PMID: 31570909

7

Computational analysis of hot spots and binding mechanism in the PD-1/PD-L1 interaction.

Huang D, Wen W, Liu X, Li Y, Zhang JZH. Huang D, et al. Among authors: liu x. RSC Adv. 2019 May 14;9(26):14944-14956. doi: 10.1039/c9ra01369e. eCollection 2019 May 9. RSC Adv. 2019. PMID: 35516311 Free PMC article.

8

Discovery of Bisindole as a Novel Scaffold for Protein Tyrosine Phosphatase 1B Inhibitors.

Jing C, Li Z, Jia K, Chen C, Liu X, Wang B, Hu W, Li J, Zhu T, Dong S. Jing C, et al. Among authors: liu x. Arch Pharm (Weinheim). 2017 Jan;350(1). doi: 10.1002/ardp.201600173. Epub 2016 Dec 28. Arch Pharm (Weinheim). 2017. PMID: 28029177

9

Antitumor activity of TY-011 against gastric cancer by inhibiting Aurora A, Aurora B and VEGFR2 kinases.

Liu W, Lu Y, Chai X, Liu X, Zhu T, Wu X, Fang Y, Liu X, Zhang X. Liu W, et al. Among authors: liu x. J Exp Clin Cancer Res. 2016 Nov 25;35(1):183. doi: 10.1186/s13046-016-0464-2. J Exp Clin Cancer Res. 2016. PMID: 27887633 Free PMC article.

10

Spontaneous and instant formation of highly stable protein-nanoparticle supraparticle co-assemblies driven by hydrophobic interaction.

Yu X, Liu X, Ding W, Wang J, Ruan G. Yu X, et al. Among authors: liu x. Nanoscale Adv. 2019 Sep 26;1(10):4137-4147. doi: 10.1039/c9na00328b. eCollection 2019 Oct 9. Nanoscale Adv. 2019. PMID: 36132103 Free PMC article.

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