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2020 – today
- 2024
[j7]Qin Zeng
, Guangpeng Meng, Bingyu Zhao, Haodian Lin, Yuqing Guan, Xiaobin Qin, Yu Yuan, Yuanbo Li, Qiantao Wang:
Peptide Drug Design Using Alchemical Free Energy Calculation: An Application and Validation on Agonists of Ghrelin Receptor. J. Chem. Inf. Model. 64(12): 4863-4876 (2024)- 2023
- [j6]Yadi Xu, Xiaoyu Guo, Dengjie Yan, Xihan Dang, Li Guo, Tao Jia, Qiantao Wang:
Molecular Dynamics Simulation-Driven Focused Virtual Screening and Experimental Validation of Inhibitors for MTDH-SND1 Protein-Protein Interaction. J. Chem. Inf. Model. 63(11): 3614-3627 (2023) - 2022
- [j5]Wenqing Li, Jiabin Zhang, Li Guo, Qiantao Wang:
Importance of Three-Body Problems and Protein-Protein Interactions in Proteolysis-Targeting Chimera Modeling: Insights from Molecular Dynamics Simulations. J. Chem. Inf. Model. 62(3): 523-532 (2022) - 2021
- [j4]Xinghang Yuan, Di Zhang, Shengjun Mao, Qiantao Wang:
Filling the Gap in Understanding the Mechanism of GABAAR and Propofol Using Computational Approaches. J. Chem. Inf. Model. 61(4): 1889-1901 (2021)
2010 – 2019
- 2017
- [j3]Shi Deng, Qiantao Wang, Pengyu Y. Ren:
Estimating and modeling charge transfer from the SAPT induction energy. J. Comput. Chem. 38(26): 2222-2231 (2017) - 2016
- [j2]Christophe Narth, Louis Lagardère, Étienne Polack, Nohad Gresh, Qiantao Wang, David R. Bell, Joshua A. Rackers, Jay W. Ponder, Pengyu Y. Ren, Jean-Philip Piquemal:
Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles. J. Comput. Chem. 37(5): 494-506 (2016) - 2014
- [j1]Qiantao Wang, Jihyun Park, Ashwini K. Devkota, Eun Jeong Cho, Kevin N. Dalby, Pengyu Y. Ren:
Identification and Validation of Novel PERK Inhibitors. J. Chem. Inf. Model. 54(5): 1467-1475 (2014)
Coauthor Index
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