1. Haiyang Zhang, Yang Jiang, Ziheng, Cui, Chunhua Yin.* Force Field Benchmark of Amino Acids: II. Partition Coefficients between Water and Organic Solvents. Journal of Chemical Information and Modeling, 2018, 58(8): 1669-1681.
2. Haiyang Zhang, Chunhua Yin, Yang Jiang, David van der Spoel.* Force Field Benchmark of Amino Acids: I. Hydration and Diffusion in Different Water Models. Journal of Chemical Information and Modeling, 2018, 58(5): 1037-1052.
3. Haiyang Zhang, Yang Jiang, Hai Yan,* Ziheng, Cui, Chunhua Yin.* Comparative Assessment of Computational Methods for Free Energy Calculations of Ionic Hydrations. Journal of Chemical Information and Modeling, 2017, 57(11): 2763-2775.
4. Haiyang Zhang, Yang Jiang, Hai Yan,* Chunhua Yin, Tianwei Tan,* David van der Spoel. Free Energy Calculations of Ionic Hydration Consistent with the Experimental Hydration Free Energy of the Proton. The Journal of Physical Chemistry Letters, 2017, 8(12): 2705-2712.
5.Yang Jiang, Haiyang Zhang, Ziheng Cui, Tianwei Tan.* Modeling Coordination-Directed Self-Assembly of M2L4 Nanocapsule Featuring Competitive Guest Encapsulation. The Journal of Physical Chemistry Letters, 2017, 8(9): 2082-2086
6. Haiyang Zhang, Chunhua Yin, Hai Yan, David van der Spoel.* Evaluation of Generalized Born Models for Large Scale Affinity Prediction of Cyclodextrin Host–Guest Complexes. Journal of Chemical Information and Modeling, 2016, 56(10): 2080-2092.
7.Yang Jiang, Haiyang Zhang, Tianwei Tan.* Rational Design of Methodology-Independent Metal Parameters Using a Nonbonded Dummy Model. Journal of Chemical Theory and Computation, 2016, 12(7): 3250-3260.
8. Haiyang Zhang, Yongqin Lv*, Tianwei Tan*, David van der Spoel. Atomistic Simulation of Protein Encapsulation in Metal–Organic Frameworks. The Journal of Physical Chemistry B, 2016, 120(3): 477-484.
9. Haiyang Zhang, Tianwei Tan, David van der Spoel.* Generalized Born and Explicit Solvent Models for Free Energy Calculations in Organic Solvents: Cyclodextrin Dimerization. Journal of Chemical Theory and Computation, 2015, 11(11): 5103-5113.