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Qiaoyu Hu, Hari Paudyal, Junmei Zhao, Fang Huo, Katsutoshi Inoue, Huizhou Liu. Adsorptive recovery of vanadium(V) from chromium(VI) - containing effluent by Zr(IV)-loaded orange juice residue, Chemical Engineering Journal, 2014, 248, 79-88.
Qiaoyu Hu, Junmei Zhao, Fuchun Wang, Na Sui, Xiaoqin Wang, Fang Huo, Huizhou Liu. Selective extraction of vanadium from chromium by pure [C8mim][PF6]: an anion exchange process, Separation and Purification Technology, 2014, 131, 94-101.
Junmei Zhao, Qiaoyu Hu, Yingbo Li, Huizhou Liu. Efficient separation of vanadium and chromium by a novel ionic liquid-based synergistic extraction strategy, Chemical Engineering Journal, 2015, 264, 487-496.
Fuchun Wang, Junmei Zhao, Xuetuan Wei, Fang Huo, Wensong Li, Qiaoyu Hu, Huizhou Liu. Adsorption of rare earths (III) by calcium alginate - poly glumatic acid hybrid gels, Journal of Chemical Technology and Biotechnology, 2014, 89, 969-977.
Qiaoyu Hu, Vindi M. Jayasinghe-Arachchige, Joshua Zuchniarz, Rajeev Prabhakar. Effects of the Metal Ion on the Mechanism of Phosphodiester Hydrolysis Catalyzed by Metal-Cyclen Complexes. Frontiers in Chemistry, 2019, 7, 195.
Qiaoyu Hu, Vindi M. Jayasinghe-Arachchige, Gaurav Sharma, Leonardo F. Serafim, Thomas J. Paul and Rajeev Prabhakar. Mechanisms of Peptide and Phosphoester Hydrolysis Catalyzed by Two Promiscuous Metalloenzymes (Insulin Degrading Enzyme and Glycerophosphodiester- ase) and Their Synthetic Analogues. WIREs Computational Molecular Science, 2020, 10, e1466.
Qiaoyu Hu, Vindi M. Jayasinghe-Arachchige, Rajeev Prabhakar. Degradation of a Main Plastic Pollutant Polyethylene Terephthalate by Two Distinct Proteases (Neprilysin and Cutinase-like Enzyme). Journal of Chemical Information and Modeling, 2021, 61, 764-776.
Qiaoyu Hu, Kevin Padron, Daiki Hara, Junwei Shi, Alan Pollack, Rajeev Prabhakar, Wensi Tao. Interactions of Urea-Based Inhibitors with Prostate-Specific Membrane Antigen for Boron Neutron Capture Therapy. ACS Omega, 2021, 6, 33354-33369.
Vindi M. Jayasinghe-Arachchige, Qiaoyu Hu, Gaurav Sharma, Thomas J. Paul, Marcus Lundberg, David Qui?onero, Tatjana N. Parac-Vogt and Rajeev Prabhakar. Hydrolysis of Chemically Distinct Sites of Human Serum Albumin (HSA) by Polyoxometalate (POM): A Hybrid QM/MM (ONIOM) Study. Journal of Computational Chemistry, 2019, 40, 51-61.
Gaurav Sharma, Qiaoyu Hu, Vindi M. Jayasinghe-Arachchige, Thomas Paul, Gerhard Schenk and Rajeev Prabhakar. Investigating Coordination Flexibility of Glycerophosphodiesterase (GpdQ) Through Interactions with Mono-, Di-, and Triphosphoester (NPP, BNPP, GPE, and Paraoxon) Substrates. Physical Chemistry Chemical Physics, 2019, 21, 5499-5509.
Thomas M. Carlino, Qiaoyu Hu, Amy M. Scott. Aggregate Induced Self-Assembly and Ultrafast Dynamics of Light-Harvesting D-A-A Polymorphs. Macromolecular Rapid Communications, 2018, 39, 1800391.
Gaurav Sharma, Vindi M. Jayasinghe-Arachchige, Qiaoyu Hu, Gerhard Schenk and Rajeev Prabhakar. The Effect of Chemically Distinct Substrates on the Mechanism and Reactivity of a Highly Promiscuous Metallohydrolase. ACS Catalysis, 2020, 10, 3684-3696.
Mercedes M. A. Mazza, Shiori Yamazaki, Dieu X. Mai, Suyog Padgaon- kar, Samuel Peurifoy, Ariane Goncalves, Yi-Lin Wu, Qiaoyu Hu, Amy M. Scott. Photoinduced charge recombination in dipolar D-A-A photonic liquid crystal polymorphs. Physical Chemistry Chemical Physics, 2017, 19, 4588-4596.
Fenglei Li1, Qiaoyu Hu1, Zhuanghua Liu1, Renhong Sun1, Sanan Wu, Siyuan Tian, Xinyue Ma, Zhizhuo Dai, Hualiang Jiang, Xiaobao Yang, Shenghua Gao, and Fang Bai. DeepPROTACs: a deep learning-based targeted degradation predictor for PROTACs. Nature Communications, Accepted.
Li Fenglei, Hu Qiaoyu, Xiong Ruofan, Bai Fang. Computational drug design methods by deep learning algorithms. Chinese Journal of Nature, 2021, 43(5): 383-390.
Zhongneng Zhou, Zijing Chen, Xiu-Wen Kang, Yalin Zhou, Bingyao Wang, Siwei Tang, Shuhua Zou, Yifei Zhang, Qiaoyu Hu, Fang Bai, Bei Ding, and Dongping Zhong. The nature of proton-coupled electron transfer in a blue light using flavin domain. Proceedings of the National Academy of Sciences of the United States of America, 2022, 119(26): e2203996119.
Yanyan Diao, Dandan Liu, Huan Ge, Rongrong Zhang, Kexin Jiang, Kai Zhang, Rui Wang, Lili Zhu, Zhenjiang Zhao, Qiaoyu Hu, and Hongling Li. Macrocyclization of linear molecules by deep learning to facilitate macrocyclic drug candidates discovery. Nature Communications, Under revision.
Qiaoyu Hu1, Fenglei Li1, Shihang Wang, Zongquan Li, Ruitao Hu, Lianghe Mei, and Fang Bai. AutoFBDD: a fragment-based method for automatically generating small molecule inhibitors and PROTACs for target proteins. Under Preparation.
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