Haiyang Zhang
机构: University of Science and Technology Beijing
每年引用次数
引用次数
引用: 1,625
H-指数: 24
I10-指数 : 39
出版物: 45
Developing and Assessing Nonbonded Dummy Models of Magnesium Ion with Different Hydration Free Energy References.
Haiyang Zhang , Yang Jiang , Yongguang Zhang , Jiarong Peng
Journal of Chemical Information and Modeling
2021
Effective Biodegradation of Aflatoxin B1 Using the Bacillus licheniformis (BL010) Strain.
Ye Wang , Haiyang Zhang , Hai Yan , Chunhua Yin
Toxins 10 ( 12) 497
11
2018
Role of Host–Guest Charge Transfer in Cyclodextrin Complexation: A Computational Study
Chunhua Yin , Ziheng Cui , Yang Jiang , David van der Spoel
Journal of Physical Chemistry C 123 ( 29) 17745 -17756
2019
Force Field Benchmark of Amino Acids: I. Hydration and Diffusion in Different Water Models
Haiyang Zhang , Chunhua Yin , Yang Jiang , David van der Spoel
Journal of Chemical Information and Modeling 58 ( 5) 1037 -1052
24
2018
Force Field Benchmark of Amino Acids. 2. Partition Coefficients between Water and Organic Solvents
Haiyang Zhang , Yang Jiang , Ziheng Cui , Chunhua Yin
Journal of Chemical Information and Modeling 58 ( 8) 1669 -1681
39
2018
Comparative Assessment of Computational Methods for Free Energy Calculations of Ionic Hydration
Chunhua Yin , Haiyang Zhang , Yang Jiang , Hai Yan
Journal of Chemical Information and Modeling 57 ( 11) 2763 -2775
7
2017
Polymer monoliths with chelating functionalities for solid phase extraction of metal ions from water
Hongxia Wang , Haiyang Zhang , Yongqin Lv , Frantisek Svec
Journal of Chromatography A 1343 128 -134
37
2014
Molecular Recognition in Different Environments: β-Cyclodextrin Dimer Formation in Organic Solvents
Haiyang Zhang , Tianwei Tan , Wei Feng , David van der Spoel
Journal of Physical Chemistry B 116 ( 42) 12684 -12693
37
2012
Evaluation of Generalized Born Models for Large Scale Affinity Prediction of Cyclodextrin Host-Guest Complexes
Haiyang Zhang , Chunhua Yin , Hai Yan , David van der Spoel
Journal of Chemical Information and Modeling 56 ( 10) 2080 -2092
10
2016
Refined Dummy Atom Model of Mg2+ by Simple Parameter Screening Strategy with Revised Experimental Solvation Free Energy
Yang Jiang , Haiyang Zhang , Wei Feng , Tianwei Tan
Journal of Chemical Information and Modeling 55 ( 12) 2575 -2586
13
2015
Free-Energy Calculations of Ionic Hydration Consistent with the Experimental Hydration Free Energy of the Proton.
Haiyang Zhang , Yang Jiang , Hai Yan , Chunhua Yin
Journal of Physical Chemistry Letters 8 ( 12) 2705 -2712
15
2017
Modeling Coordination-Directed Self-Assembly of M2L4 Nanocapsule Featuring Competitive Guest Encapsulation.
Yang Jiang , Haiyang Zhang , Ziheng Cui , Tianwei Tan
Journal of Physical Chemistry Letters 8 ( 9) 2082 -2086
3
2017
Atomistic Simulation of Protein Encapsulation in Metal–Organic Frameworks
Haiyang Zhang , Yongqin Lv , Tianwei Tan , David van der Spoel
Journal of Physical Chemistry B 120 ( 3) 477 -484
16
2016
A model for the shuttle motions of puerarin and daidzin inside the cavity of β-cyclodextrin in aqueous acetic acid: insights from molecular dynamics simulations
Haiyang Zhang , Wei Feng , Cong Li , Yongqin Lv
Journal of Molecular Modeling 18 ( 1) 221 -227
4
2012
Rational Design of Methodology-Independent Metal Parameters Using a Nonbonded Dummy Model
Yang Jiang , Haiyang Zhang , Tianwei Tan
Journal of Chemical Theory and Computation 12 ( 7) 3250 -3260
13
2016
Generalized Born and Explicit Solvent Models for Free Energy Calculations in Organic Solvents: Cyclodextrin Dimerization
Haiyang Zhang , Tianwei Tan , David van der Spoel
Journal of Chemical Theory and Computation 11 ( 11) 5103 -5113
16
2015
Comparison of Implicit and Explicit Solvent Models for the Calculation of Solvation Free Energy in Organic Solvents.
Jin Zhang , Haiyang Zhang , Tao Wu , Qi Wang
Journal of Chemical Theory and Computation 13 ( 3) 1034 -1043
158
2017
Photoswitchable molecular switches featuring both axial and tetrahedral chirality
Yu Xie , Dengwei Fu , Ouyu Jin , Haiyang Zhang
Journal of Materials Chemistry C 1 ( 44) 7346 -7356
29
2013
β-cyclodextrin inclusion complexes with vitamin A and its esters: a comparative experimental and molecular modeling study
Xiaohu Xu , Siyu Peng , Guanke Bao , Haiyang Zhang
Journal of Molecular Structure 1223 129001
13
2021
Quantification of Solvent Contribution to the Stability of Noncovalent Complexes.
Haiyang Zhang , Tianwei Tan , Csaba Hetényi , David van der Spoel
Journal of Chemical Theory and Computation 9 ( 10) 4542 -4551
27
2013