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2020 – today
- 2023
[j9]Viet Hoang Man
, Xibing He, Phuong H. Nguyen, Celeste Sagui, Christopher Roland, Xiang-Qun Xie, Junmei Wang:
Unpolarized laser method for infrared spectrum calculation of amide I C=O bonds in proteins using molecular dynamics simulation. Comput. Biol. Medicine 159: 106902 (2023)- [j8]Yuchen Sun, Tingjun Hou, Xibing He, Viet Hoang Man, Junmei Wang:
Development and test of highly accurate endpoint free energy methods. 2: Prediction of logarithm of n-octanol-water partition coefficient (logP) for druglike molecules using MM-PBSA method. J. Comput. Chem. 44(13): 1300-1311 (2023) - [j7]Yuchen Sun, Xibing He, Tingjun Hou, Lianjin Cai, Viet Hoang Man, Junmei Wang:
Development and test of highly accurate endpoint free energy methods. 1: Evaluation of ABCG2 charge model on solvation free energy prediction and optimization of atom radii suitable for more accurate solvation free energy prediction by the PBSA method. J. Comput. Chem. 44(14): 1334-1346 (2023) - [j6]Viet Hoang Man, Xibing He, Fengyang Han, Lianjin Cai, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Beihong Ji, Jie Gao, Junmei Wang:
Phosphorylation at Ser289 Enhances the Oligomerization of Tau Repeat R2. J. Chem. Inf. Model. 63(4): 1351-1361 (2023) - 2022
- [j5]Viet Hoang Man, Xibing He, Junmei Wang:
Stable Cavitation Interferes with Aβ16-22 Oligomerization. J. Chem. Inf. Model. 62(16): 3885-3895 (2022) - 2021
- [j4]Beihong Ji, Xibing He, Jingchen Zhai, Yuzhao Zhang, Viet Hoang Man, Junmei Wang:
Machine learning on ligand-residue interaction profiles to significantly improve binding affinity prediction. Briefings Bioinform. 22(5) (2021) - [j3]Yuzhao Zhang, Xibing He, Jingchen Zhai, Beihong Ji, Viet Hoang Man, Junmei Wang:
In silico binding profile characterization of SARS-CoV-2 spike protein and its mutants bound to human ACE2 receptor. Briefings Bioinform. 22(6) (2021) - [j2]Beihong Ji, Xibing He, Yuzhao Zhang, Jingchen Zhai, Viet Hoang Man, Shuhan Liu, Junmei Wang:
Incorporating structural similarity into a scoring function to enhance the prediction of binding affinities. J. Cheminformatics 13(1): 11 (2021)
2010 – 2019
- 2019
- [j1]Xibing He, Viet Hoang Man, Beihong Ji, Xiang-Qun Xie, Junmei Wang:
Calculate protein-ligand binding affinities with the extended linear interaction energy method: application on the Cathepsin S set in the D3R Grand Challenge 3. J. Comput. Aided Mol. Des. 33(1): 105-117 (2019)
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