Mengxu Zhu

Predicting the impacts of mutations on protein-ligand binding affinity based on molecular dynamics simulations and machine learning methods

Debby D. Wang, Le Ou-Yang, Haoran Xie et al. · Computational and Structural Biotechnology Journal · 2020 · 82 citations · Full text

Computationally predicting binding affinity in protein–ligand complexes: free energy-based simulations and machine learning-based scoring functions

Debby D. Wang, Mengxu Zhu, Hong Yan · Briefings in Bioinformatics · 2020 · 69 citations

Engineering, Protein-ligand Binding Affinities, Computational Chemistry +20

1,1-Diethoxymethane and methanethiol as age markers in Chinese roasted-sesame-like aroma and flavour type liquor

Mengxu Zhu, Wenlai Fan, Yan Xu et al. · European Food Research and Technology · 2016 · 36 citations

Food Chemistry, Age Markers, Flavoromics +4

Visualization of Protein-Drug Interactions for the Analysis of Drug Resistance in Lung Cancer

Rizwan Qureshi, Mengxu Zhu, Hong Yan · IEEE Journal of Biomedical and Health Informatics · 2020 · 21 citations

Molecular Docking, Drug Resistance Analysis, Engineering +15

Genotype-determined EGFR-RTK heterodimerization and its effects on drug resistance in lung Cancer treatment revealed by molecular dynamics simulations

Mengxu Zhu, Debby D. Wang, Hong Yan · BMC Molecular and Cell Biology · 2021 · 18 citations · Full text