| Year |
Citation |
Score |
| 2023 |
Wang X, Huai Z, Sun Z. Host Dynamics under General-Purpose Force Fields. Molecules (Basel, Switzerland). 28. PMID 37630194 DOI: 10.3390/molecules28165940 |
0.634 |
|
| 2023 |
Sun Z, Zheng L, Zhang ZY, Cong Y, Wang M, Wang X, Yang J, Liu Z, Huai Z. Molecular Modelling of Ionic Liquids: Situations When Charge Scaling Seems Insufficient. Molecules (Basel, Switzerland). 28. PMID 36677859 DOI: 10.3390/molecules28020800 |
0.641 |
|
| 2022 |
Wang X, Chong B, Sun Z, Ruan H, Yang Y, Song P, Liu Z. More is simpler: Decomposition of ligand-binding affinity for proteins being disordered. Protein Science : a Publication of the Protein Society. 31: e4375. PMID 35762723 DOI: 10.1002/pro.4375 |
0.654 |
|
| 2019 |
Sun Z, Wang X, Zhang JZH. Theoretical understanding of the thermodynamics and interactions in transcriptional regulator TtgR-ligand binding. Physical Chemistry Chemical Physics : Pccp. PMID 31872826 DOI: 10.1039/C9Cp05980F |
0.687 |
|
| 2019 |
Sun Z, Wang X, Zhang JZH, He Q. Sulfur-substitution-induced base flipping in the DNA duplex. Physical Chemistry Chemical Physics : Pccp. PMID 31233058 DOI: 10.1039/C9Cp01989H |
0.693 |
|
| 2019 |
Sun Z, Wang X, Zhao Q, Zhu T. Understanding Aldose Reductase-Inhibitors interactions with free energy simulation. Journal of Molecular Graphics & Modelling. 91: 10-21. PMID 31128525 DOI: 10.1016/J.Jmgm.2019.05.011 |
0.733 |
|
| 2019 |
Wang X, Sun Z. Determination of Base-Flipping Free-Energy Landscapes from Nonequilibrium Stratification. Journal of Chemical Information and Modeling. PMID 31124677 DOI: 10.1021/Acs.Jcim.9B00263 |
0.715 |
|
| 2019 |
Wang X, Sun Z. Understanding PIM-1 kinase inhibitor interactions with free energy simulation. Physical Chemistry Chemical Physics : Pccp. PMID 30895980 DOI: 10.1039/C9Cp00070D |
0.714 |
|
| 2019 |
Wang X, He Q, Sun Z. BAR-based multi-dimensional nonequilibrium pulling for indirect construction of a QM/MM free energy landscape. Physical Chemistry Chemical Physics : Pccp. PMID 30855611 DOI: 10.1039/C8Cp07012A |
0.7 |
|
| 2019 |
Wang X, Tu X, Deng B, Zhang JZH, Sun Z. BAR-based optimum adaptive steered MD for configurational sampling. Journal of Computational Chemistry. PMID 30762879 DOI: 10.1002/Jcc.25784 |
0.7 |
|
| 2019 |
Sun Z, Wang X. Thermodynamics of Helix formation in small peptides of varying lengthin vacuo, implicit solvent and explicit solvent: Comparison between AMBER force fields Journal of Theoretical and Computational Chemistry. 18: 1950015. DOI: 10.1142/S0219633619500159 |
0.693 |
|
| 2019 |
Sun Z, Wang X, Zhang JZ. Determination of binding affinities of 3-Hydroxy-3-Methylglutaryl Coenzyme A reductase inhibitors from free energy calculation Chemical Physics Letters. 723: 1-10. DOI: 10.1016/J.Cplett.2019.03.020 |
0.7 |
|
| 2018 |
Wang X, Deng B, Sun Z. Thermodynamics of helix formation in small peptides of varying length in vacuo, in implicit solvent, and in explicit solvent. Journal of Molecular Modeling. 25: 3. PMID 30542771 DOI: 10.1007/S00894-018-3886-2 |
0.674 |
|
| 2018 |
Wang X, Tu X, Zhang JZH, Sun Z. BAR-based optimum adaptive sampling regime for variance minimization in alchemical transformation: the nonequilibrium stratification. Physical Chemistry Chemical Physics : Pccp. PMID 29299568 DOI: 10.1039/C7Cp07573A |
0.684 |
|
| 2017 |
Sun Z, Wang X, Song J. Extensive Assessment of Various Computational Methods for Aspartate's pKa Shift. Journal of Chemical Information and Modeling. PMID 28644624 DOI: 10.1021/Acs.Jcim.7B00177 |
0.7 |
|
| 2017 |
Sun Z, Zhu T, Wang X, Mei Y, Zhang JZ. Optimization of convergence criteria for fragmentation methods Chemical Physics Letters. 687: 163-170. DOI: 10.1016/J.Cplett.2017.08.059 |
0.677 |
|
| 2017 |
Sun Z, Wang X, Zhang JZ. Protonation-dependent base flipping in the catalytic triad of a small RNA Chemical Physics Letters. 684: 239-244. DOI: 10.1016/J.Cplett.2017.07.003 |
0.678 |
|
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