Qiantao Wang

According to our database, Qiantao Wang authored at least 7 papers between 2014 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Peptide Drug Design Using Alchemical Free Energy Calculation: An Application and Validation on Agonists of Ghrelin Receptor.

Qin Zeng, Guangpeng Meng, Bingyu Zhao, Haodian Lin, Yuqing Guan, Xiaobin Qin, Yu Yuan, Yuanbo Li, Qiantao Wang

J. Chem. Inf. Model., 2024

2023

Molecular Dynamics Simulation-Driven Focused Virtual Screening and Experimental Validation of Inhibitors for MTDH-SND1 Protein-Protein Interaction.

Yadi Xu, Xiaoyu Guo, Dengjie Yan, Xihan Dang, Li Guo, Tao Jia, Qiantao Wang

J. Chem. Inf. Model., June, 2023

2022

Importance of Three-Body Problems and Protein-Protein Interactions in Proteolysis-Targeting Chimera Modeling: Insights from Molecular Dynamics Simulations.

Wenqing Li, Jiabin Zhang, Li Guo, Qiantao Wang

J. Chem. Inf. Model., 2022

2021

Filling the Gap in Understanding the Mechanism of GABAAR and Propofol Using Computational Approaches.

Xinghang Yuan, Di Zhang, Shengjun Mao, Qiantao Wang

J. Chem. Inf. Model., 2021

2017

Estimating and modeling charge transfer from the SAPT induction energy.

Shi Deng, Qiantao Wang, Pengyu Y. Ren

J. Comput. Chem., 2017

2016

Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles.

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

J. Comput. Chem., 2016

2014

Identification and Validation of Novel PERK Inhibitors.

Qiantao Wang, Jihyun Park, Ashwini K. Devkota, Eun Jeong Cho, Kevin N. Dalby, Pengyu Y. Ren

J. Chem. Inf. Model., 2014