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The Journal of Physical Chemistry. B|October 3, 2012
Molecular recognition in different environments: β-cyclodextrin dimer formation in organic solventsHaiyang Zhang, Tianwei Tan, Wei Feng, et al.
The Journal of Physical Chemistry. B|March 2, 2012
Insight into the structural deformations of beta-cyclodextrin caused by alcohol cosolvents and guest moleculesHaiyang Zhang, Chunling Ge, David van der Spoel, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Generalized Born and Explicit Solvent Models for Free Energy Calculations in Organic Solvents: Cyclodextrin DimerizationHaiyang Zhang, Tianwei Tan, David van der Spoel
The Journal of Physical Chemistry. B|January 6, 2016
Atomistic Simulation of Protein Encapsulation in Metal-Organic FrameworksHaiyang Zhang, Yongqin Lv, Tianwei Tan, et al.
Journal of Chemical Theory and Computation|November 22, 2015
Quantification of Solvent Contribution to the Stability of Noncovalent ComplexesHaiyang Zhang, Tianwei Tan, Csaba Hetényi, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|April 11, 2014
Cooperative Binding of Cyclodextrin Dimers to Isoflavone Analogues Elucidated by Free Energy CalculationsHaiyang Zhang, Tianwei Tan, Csaba Hetényi, et al.
The Journal of Physical Chemistry Letters|June 1, 2017
Free-Energy Calculations of Ionic Hydration Consistent with the Experimental Hydration Free Energy of the ProtonHaiyang Zhang, Yang Jiang, Hai Yan, et al.
The Journal of Biological Chemistry|July 6, 2010
Analysis of the conformational stability and activity of Candida antarctica lipase B in organic solvents: insight from molecular dynamics and quantum mechanics/simulationsCong Li, Tianwei Tan, Haiyang Zhang, et al.
Journal of Chemical Information and Modeling|November 25, 2015
Refined Dummy Atom Model of Mg(2+) by Simple Parameter Screening Strategy with Revised Experimental Solvation Free EnergyYang Jiang, Haiyang Zhang, Wei Feng, et al.
The Journal of Physical Chemistry. B|March 20, 2010
Investigation of the inclusions of puerarin and daidzin with beta-cyclodextrin by molecular dynamics simulationHaiyang Zhang, Wei Feng, Cong Li, et al.
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