Xiaohui Wang - Publications

Affiliations: 
East China Normal University, Shanghai 

14 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
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  0.686
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  0.695
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  0.686
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  0.698
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  0.685
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  0.689
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  0.697
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  0.685
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  0.682
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  0.697
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  0.693
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  0.68
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  0.687
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