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List of works by Haiyang Zhang

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

scientific article published on 27 April 2011

Analysis of the conformational stability and activity of Candida antarctica lipase B in organic solvents: insight from molecular dynamics and quantum mechanics/simulations

scientific article

Atomistic Simulation of Protein Encapsulation in Metal-Organic Frameworks

scientific article published on 5 January 2016

Cloning and Expression of Genes for Biodegrading Nodularin by Sphingopyxis sp. USTB-05

scientific article published on 20 September 2019

Comparative Assessment of Computational Methods for Free Energy Calculations of Ionic Hydration

scientific article

Comparison of Implicit and Explicit Solvent Models for the Calculation of Solvation Free Energy in Organic Solvents

scientific article

Cooperative Binding of Cyclodextrin Dimers to Isoflavone Analogues Elucidated by Free Energy Calculations

scientific article published on 14 March 2014

Effective Biodegradation of Aflatoxin B1 Using the (BL010) Strain

scientific article published on 26 November 2018

Enhancement of methanol resistance of Yarrowia lipolytica lipase 2 using β-cyclodextrin as an additive: Insights from experiments and molecular dynamics simulation

scientific article published on 13 October 2016

Force Field Benchmark of Amino Acids. 2. Partition Coefficients between Water and Organic Solvents

scientific article published on 10 August 2018

Force Field Benchmark of Amino Acids: I. Hydration and Diffusion in Different Water Models

scientific article published on 12 April 2018

Free-Energy Calculations of Ionic Hydration Consistent with the Experimental Hydration Free Energy of the Proton.

scientific article

Generalized Born and Explicit Solvent Models for Free Energy Calculations in Organic Solvents: Cyclodextrin Dimerization

scientific article published on 8 October 2015

Genomic Analysis of <i>Sphingopyxis</i> sp. USTB-05 for Biodegrading Cyanobacterial Hepatotoxins

scientific article published on 09 May 2022

Glycerol induced stability enhancement and conformational changes of β-lactoglobulin

scientific article published on 15 October 2019

Insight into the structural deformations of beta-cyclodextrin caused by alcohol cosolvents and guest molecules

scientific article published on 14 March 2012

Investigation of the inclusions of puerarin and daidzin with beta-cyclodextrin by molecular dynamics simulation.

scientific article published in April 2010

Lid closure mechanism of Yarrowia lipolytica lipase in methanol investigated by molecular dynamics simulation

scientific article published on 01 July 2014

Modeling Coordination-Directed Self-Assembly of M2L4 Nanocapsule Featuring Competitive Guest Encapsulation.

scientific article published on 22 April 2017

Molecular recognition in different environments: β-cyclodextrin dimer formation in organic solvents

scientific article published on 11 October 2012

NMR Study on the Inclusion Complexes of β-Cyclodextrin with Isoflavones.

scientific article published on 28 March 2016

Pathway for Biodegrading Nodularin (NOD) by Sphingopyxis sp. USTB-05.

scientific article published on 04 May 2016

Polymer monoliths with chelating functionalities for solid phase extraction of metal ions from water

scientific article published on 04 April 2014

Prediction of Partition Coefficients of Environmental Toxins Using Computational Chemistry Methods

scientific article published on 12 August 2019

Quantification of Solvent Contribution to the Stability of Noncovalent Complexes.

scientific article published on 19 September 2013

Rational Design of Methodology-Independent Metal Parameters Using a Nonbonded Dummy Model

scientific article published on 16 May 2016

Refined Dummy Atom Model of Mg(2+) by Simple Parameter Screening Strategy with Revised Experimental Solvation Free Energy.

scientific article published on 24 November 2015

Rotational and Translational Diffusion of Proteins as a Function of Concentration

scientific article published on 27 November 2019

Sodium hexadecyl sulfate as an interfacial substance adjusting the adsorption of a protein on carbon nanotubes.

scientific article

Structural basis of microcystinase activity for biodegrading microcystin-LR

scientific article published on 02 July 2019

Theoretical and experimental studies on activity of Yarrowia lipolytica lipase in methanol/water mixtures

scientific article published on 12 February 2014

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