Computational Fragment-Based Drug Design: Current Trends, Strategies, and Applications von Bian, Yuemin, Xie, Xiang-Qun (Sean)

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Deep Learning for Drug Design: an Artificial Intelligence Paradigm for Drug Discovery in the Big Data Era von Jing, Yankang, Bian, Yuemin, Hu, Ziheng, Wang, Lirong, Xie, Xiang-Qun Sean

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Generative chemistry: drug discovery with deep learning generative models von Bian, Yuemin, Xie, Xiang-Qun

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Cryo-EM Structure of the Human Cannabinoid Receptor CB2-Gi Signaling Complex von Xing, Changrui, Zhuang, Youwen, Xu, Ting-Hai, Feng, Zhiwei, Zhou, X. Edward, Chen, Maozi, Wang, Lei, Meng, Xing, Xue, Ying, Wang, Junmei, Liu, Heng, McGuire, Terence Francis, Zhao, Gongpu, Melcher, Karsten, Zhang, Cheng, Xu, H. Eric, Xie, Xiang-Qun

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Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ16–22 Dimer von Man, Viet Hoang, He, Xibing, Derreumaux, Philippe, Ji, Beihong, Xie, Xiang-Qun, Nguyen, Phuong H, Wang, Junmei

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AlzPlatform: An Alzheimer’s Disease Domain-Specific Chemogenomics Knowledgebase for Polypharmacology and Target Identification Research von Liu, Haibin, Wang, Lirong, Lv, Mingliang, Pei, Rongrong, Li, Peibo, Pei, Zhong, Wang, Yonggang, Su, Weiwei, Xie, Xiang-Qun

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Recent advances in fragment-based QSAR and multi-dimensional QSAR methods von Myint, Kyaw Zeyar, Xie, Xiang-Qun

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Virus-CKB: an integrated bioinformatics platform and analysis resource for COVID-19 research von Feng, Zhiwei, Chen, Maozi, Liang, Tianjian, Shen, Mingzhe, Chen, Hui, Xie, Xiang-Qun

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p62/SQSTM1/Sequestosome-1 is an N-recognin of the N-end rule pathway which modulates autophagosome biogenesis von Cha-Molstad, Hyunjoo, Yu, Ji Eun, Feng, Zhiwei, Lee, Su Hyun, Kim, Jung Gi, Yang, Peng, Han, Bitnara, Sung, Ki Woon, Yoo, Young Dong, Hwang, Joonsung, McGuire, Terry, Shim, Sang Mi, Song, Hyun Dong, Ganipisetti, Srinivasrao, Wang, Nuozhou, Jang, Jun Min, Lee, Min Jae, Kim, Seung Jun, Lee, Kyung Ho, Hong, Jin Tae, Ciechanover, Aaron, Mook-Jung, Inhee, Kim, Kwang Pyo, Xie, Xiang-Qun, Kwon, Yong Tae, Kim, Bo Yeon

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Beta-Caryophyllene Is a Dietary Cannabinoid von Gertsch, Jürg, Leonti, Marco, Raduner, Stefan, Racz, Ildiko, Chen, Jian-Zhong, Xie, Xiang-Qun, Altmann, Karl-Heinz, Karsak, Meliha, Zimmer, Andreas

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Molecular Fingerprint-Based Artificial Neural Networks QSAR for Ligand Biological Activity Predictions von Myint, Kyaw-Zeyar, Wang, Lirong, Tong, Qin, Xie, Xiang-Qun

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Modeling, Molecular Dynamics Simulation, and Mutation Validation for Structure of Cannabinoid Receptor 2 Based on Known Crystal Structures of GPCRs von Feng, Zhiwei, Alqarni, Mohammed Hamed, Yang, Peng, Tong, Qin, Chowdhury, Ananda, Wang, Lirong, Xie, Xiang-Qun

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Chemogenomics Systems Pharmacology Mapping of Potential Drug Targets for Treatment of Traumatic Brain Injury von Wang, Lirong, Ma, Shifan, Hu, Ziheng, McGuire, Terence Francis, Xie, Xiang-Qun Sean

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Implementation of Diverse Synthetic and Strategic Approaches to Biologically Active Sulfamides von Jun, Jaden J., Xie, Xiang‐Qun

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Insight of Captagon Abuse by Chemogenomics Knowledgebase-guided Systems Pharmacology Target Mapping Analyses von Wu, Nan, Feng, Zhiwei, He, Xibing, Kwon, William, Wang, Junmei, Xie, Xiang-Qun

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Artificial Intelligent Deep Learning Molecular Generative Modeling of Scaffold-Focused and Cannabinoid CB2 Target-Specific Small-Molecule Sublibraries von Bian, Yuemin, Xie, Xiang-Qun

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PD-1-Targeted Discovery of Peptide Inhibitors by Virtual Screening, Molecular Dynamics Simulation, and Surface Plasmon Resonance von Wang, Yuanqiang, Guo, Haiqiong, Feng, Zhiwei, Wang, Siyi, Wang, Yuxuan, He, Qingxiu, Li, Guangping, Lin, Weiwei, Xie, Xiang-Qun, Lin, Zhihua

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In Silico Prediction and Validation of CB2 Allosteric Binding Sites to Aid the Design of Allosteric Modulators von Yuan, Jiayi, Jiang, Chen, Wang, Junmei, Chen, Chih-Jung, Hao, Yixuan, Zhao, Guangyi, Feng, Zhiwei, Xie, Xiang-Qun

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Structural insight into the serotonin (5-HT) receptor family by molecular docking, molecular dynamics simulation and systems pharmacology analysis von Wang, Yuan-qiang, Lin, Wei-wei, Wu, Nan, Wang, Si-yi, Chen, Mao-zi, Lin, Zhi-hua, Xie, Xiang-Qun, Feng, Zhi-wei

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A computational strategy for finding novel targets and therapeutic compounds for opioid dependence von Wu, Xiaojun, Xie, Siwei, Wang, Lirong, Fan, Peihao, Ge, Songwei, Xie, Xiang-Qun, Wu, Wei

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