Sun Z - Search Results

1

All-Atom Perspective of the DENV-3 Methyltransferase Inhibition Mechanism.

Liu X, Pang K, Wu H, Wang X, Zhang JZH, Sun Z. Liu X, et al. Among authors: sun z. J Phys Chem B. 2024 Dec 19;128(50):12358-12367. doi: 10.1021/acs.jpcb.4c05943. Epub 2024 Dec 5. J Phys Chem B. 2024. PMID: 39639592

2

Interaction entropy for protein-protein binding.

Sun Z, Yan YN, Yang M, Zhang JZ. Sun Z, et al. J Chem Phys. 2017 Mar 28;146(12):124124. doi: 10.1063/1.4978893. J Chem Phys. 2017. PMID: 28388125

3

Extensive Assessment of Various Computational Methods for Aspartate's pK_a Shift.

Sun Z, Wang X, Song J. Sun Z, et al. J Chem Inf Model. 2017 Jul 24;57(7):1621-1639. doi: 10.1021/acs.jcim.7b00177. Epub 2017 Jun 23. J Chem Inf Model. 2017. PMID: 28644624

4

Protein-Ligand Empirical Interaction Components for Virtual Screening.

Yan Y, Wang W, Sun Z, Zhang JZH, Ji C. Yan Y, et al. Among authors: sun z. J Chem Inf Model. 2017 Aug 28;57(8):1793-1806. doi: 10.1021/acs.jcim.7b00017. Epub 2017 Jul 18. J Chem Inf Model. 2017. PMID: 28678484

5

BAR-based optimum adaptive sampling regime for variance minimization in alchemical transformation: the nonequilibrium stratification.

Wang X , Tu X , Zhang JZH , Sun Z . Wang X , et al. Among authors: sun z. Phys Chem Chem Phys. 2018 Jan 17;20(3):2009-2021. doi: 10.1039/c7cp07573a. Phys Chem Chem Phys. 2018. PMID: 29299568

6

Thermodynamics of helix formation in small peptides of varying length in vacuo, in implicit solvent, and in explicit solvent.

Wang X, Deng B, Sun Z. Wang X, et al. Among authors: sun z. J Mol Model. 2018 Dec 12;25(1):3. doi: 10.1007/s00894-018-3886-2. J Mol Model. 2018. PMID: 30542771

7

BAR-based optimum adaptive steered MD for configurational sampling.

Wang X, Tu X, Deng B, Zhang JZH, Sun Z. Wang X, et al. Among authors: sun z. J Comput Chem. 2019 May 5;40(12):1270-1289. doi: 10.1002/jcc.25784. Epub 2019 Feb 14. J Comput Chem. 2019. PMID: 30762879

8

BAR-based multi-dimensional nonequilibrium pulling for indirect construction of a QM/MM free energy landscape.

Wang X , He Q , Sun Z . Wang X , et al. Among authors: sun z. Phys Chem Chem Phys. 2019 Mar 20;21(12):6672-6688. doi: 10.1039/c8cp07012a. Phys Chem Chem Phys. 2019. PMID: 30855611

9

Understanding PIM-1 kinase inhibitor interactions with free energy simulation.

Wang X , Sun Z . Wang X , et al. Among authors: sun z. Phys Chem Chem Phys. 2019 Apr 3;21(14):7544-7558. doi: 10.1039/c9cp00070d. Phys Chem Chem Phys. 2019. PMID: 30895980

10

Determination of Base-Flipping Free-Energy Landscapes from Nonequilibrium Stratification.

Wang X, Sun Z. Wang X, et al. Among authors: sun z. J Chem Inf Model. 2019 Jun 24;59(6):2980-2994. doi: 10.1021/acs.jcim.9b00263. Epub 2019 May 24. J Chem Inf Model. 2019. PMID: 31124677

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