Beihong Ji

Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ_16–22 Dimer

Viet Hoang Man, Xibing He, Philippe Derreumaux et al. · Journal of Chemical Theory and Computation · 2019 · 137 citations · Full text

Life Sciences, Biochemistry, Biophysics +17

Fast, Accurate, and Reliable Protocols for Routine Calculations of Protein–Ligand Binding Affinities in Drug Design Projects Using AMBER GPU-TI with ff14SB/GAFF

Xibing He, Shuhan Liu, Tai‐Sung Lee et al. · ACS Omega · 2020 · 121 citations · Full text

Pharmacy, Bioinformatics, Medicinal Chemistry +17

Prediction of the Binding Affinities and Selectivity for CB1 and CB2 Ligands Using Homology Modeling, Molecular Docking, Molecular Dynamics Simulations, and MM-PBSA Binding Free Energy Calculations

Beihong Ji, Shuhan Liu, Xibing He et al. · ACS Chemical Neuroscience · 2020 · 65 citations

Pharmacy, Chemistry, Pharmacology +17

Aicardi-Goutières syndrome-associated mutation at ADAR1 gene locus activates innate immune response in mouse brain

Xinfeng Guo, Clayton A. Wiley, Richard A. Steinman et al. · Journal of Neuroinflammation · 2021 · 52 citations · Full text

Life Sciences, Genetics, Molecular Biology +17

Calculate protein–ligand binding affinities with the extended linear interaction energy method: application on the Cathepsin S set in the D3R Grand Challenge 3

Xibing He, Viet Hoang Man, Beihong Ji et al. · Journal of Computer-Aided Molecular Design · 2018 · 38 citations · Full text

Life Sciences, Biochemistry, Medicinal Chemistry +16