Xiaojun Yao

Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power

Zhe Wang, Huiyong Sun, Xiaojun Yao et al. · Physical Chemistry Chemical Physics · 2016 · 929 citations

What Contributes to Serotonin–Norepinephrine Reuptake Inhibitors’ Dual-Targeting Mechanism? The Key Role of Transmembrane Domain 6 in Human Serotonin and Norepinephrine Transporters Revealed by Molecular Dynamics Simulation

Weiwei Xue, Fengyuan Yang, Panpan Wang et al. · ACS Chemical Neuroscience · 2018 · 282 citations

MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm

Qifeng Bai, Shuoyan Tan, Tingyang Xu et al. · Briefings in Bioinformatics · 2020 · 278 citations · Full text

Artificial Intelligence, Drug Target, Engineering +21

A Retrievable and Highly Selective Fluorescent Probe for Monitoring Sulfide and Imaging in Living Cells

Fengping Hou, Liang Huang, Pinxian Xi et al. · Inorganic Chemistry · 2012 · 276 citations · Full text

Probing the Binding of Scutellarin to Human Serum Albumin by Circular Dichroism, Fluorescence Spectroscopy, FTIR, and Molecular Modeling Method

Jianniao Tian, Jiaqin Liu, Wenying He et al. · Biomacromolecules · 2004 · 258 citations · Full text

Protein Chemistry, Proteinlipid Interaction, Molecular Modeling Method +15