Qiantao Wang

Publication Activity (10 Years)

Years Active: 2014-2024
Publications (10 Years): 6

Top Topics

Scientific Data

Virtual Screening

Protein Protein Interactions

Computational Approaches

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

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) (2024)
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) (2023)
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) (2022)
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) (2021)
Shi Deng, Qiantao Wang, Pengyu Y. Ren
Estimating and modeling charge transfer from the SAPT induction energy. J. Comput. Chem. 38 (26) (2017)
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) (2016)
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) (2014)