Xiao Zhu

Recent developments and applications of the CHARMM force fields

Xiao Zhu, Pedro E. M. Lopes, Alexander D. MacKerell · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 261 citations · Full text

A novel calcium-binding peptide from Antarctic krill protein hydrolysates and identification of binding sites of calcium-peptide complex

Hu Hou, Shikai Wang, Xiao Zhu et al. · Food Chemistry · 2017 · 173 citations

Biochemistry, Protein Folding, Natural Sciences +9

Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field

Christopher M. Baker, Pedro E. M. Lopes, Xiao Zhu et al. · Journal of Chemical Theory and Computation · 2010 · 143 citations · Full text

Engineering, Computational Chemistry, Chemistry +17

A molecular dynamics simulation study on the conformational stability of amylose-linoleic acid complex in water

Lilin Cheng, Tao Feng, Boyu Zhang et al. · Carbohydrate Polymers · 2018 · 128 citations

Engineering, Biochemistry, Conformational Stability +7

Towards understanding the interaction of β-lactoglobulin with capsaicin: Multi-spectroscopic, thermodynamic, molecular docking and molecular dynamics simulation approaches

Fuchao Zhan, Shuang Ding, Wenya Xie et al. · Food Hydrocolloids · 2020 · 105 citations

Protein Chemistry, Engineering, Biochemistry +8