Artificial Intelligent Deep Learning Molecular Generative Modeling of Scaffold-Focused and Cannabinoid CB2 Target-Specific Small-Molecule Sublibraries

por Bian, Yuemin, Xie, Xiang-Qun
Publicado 2022

Recent Advances in Fragment-Based QSAR and Multi-Dimensional QSAR Methods

por Myint, Kyaw Zeyar, Xie, Xiang-Qun
Publicado 2010

Antagonism of cannabinoid receptor 2 pathway suppresses IL-6-induced immunoglobulin IgM secretion

por Feng, Rentian, Milcarek, Christine A, Xie, Xiang-Qun
Publicado 2014

Modeling skin sensitization potential of mechanistically hard-to-be-classified aniline and phenol compounds with quantum mechanistic properties

por Ouyang, Qin, Wang, Lirong, Mu, Ying, Xie, Xiang-Qun
Publicado 2014

Integrated Multi-Class Classification and Prediction of GPCR Allosteric Modulators by Machine Learning Intelligence

por Hou, Tianling, Bian, Yuemin, McGuire, Terence, Xie, Xiang-Qun
Publicado 2021

Virus-CKB 2.0: Viral-Associated Disease-Specific Chemogenomics Knowledgebase

por Hao, Yixuan, Chen, Maozi, Othman, Yasmin, Xie, Xiang-Qun, Feng, Zhiwei
Publicado 2022

Chemogenomics knowledgebased polypharmacology analyses of drug abuse related G-protein coupled receptors and their ligands

por Xie, Xiang-Qun, Wang, Lirong, Liu, Haibin, Ouyang, Qin, Fang, Cheng, Su, Weiwei
Publicado 2014

Insight of Captagon Abuse by Chemogenomics Knowledgebase-guided Systems Pharmacology Target Mapping Analyses

por Wu, Nan, Feng, Zhiwei, He, Xibing, Kwon, William, Wang, Junmei, Xie, Xiang-Qun
Publicado 2019

Virus-CKB: an integrated bioinformatics platform and analysis resource for COVID-19 research

por Feng, Zhiwei, Chen, Maozi, Liang, Tianjian, Shen, Mingzhe, Chen, Hui, Xie, Xiang-Qun
Publicado 2020

Synthesis and in silico screening of a library of β-carboline-containing compounds

por Brummond, Kay M, Goodell, John R, LaPorte, Matthew G, Wang, Lirong, Xie, Xiang-Qun
Publicado 2012

A computational strategy for finding novel targets and therapeutic compounds for opioid dependence

por Wu, Xiaojun, Xie, Siwei, Wang, Lirong, Fan, Peihao, Ge, Songwei, Xie, Xiang-Qun, Wu, Wei
Publicado 2018

Modeling, Molecular Dynamics Simulation, and Mutation Validation for Structure of Cannabinoid Receptor 2 Based on Known Crystal Structures of GPCRs

por Feng, Zhiwei, Alqarni, Mohammed Hamed, Yang, Peng, Tong, Qin, Chowdhury, Ananda, Wang, Lirong, Xie, Xiang-Qun
Publicado 2014

Prediction of Drug–Drug Interactions Between Opioids and Overdosed Benzodiazepines Using Physiologically Based Pharmacokinetic (PBPK) Modeling and Simulation

por Ji, Beihong, Liu, Shuhan, Xue, Ying, He, Xibing, Man, Viet Hoang, Xie, Xiang-Qun, Wang, Junmei
Publicado 2019

In Silico Prediction and Validation of CB2 Allosteric Binding Sites to Aid the Design of Allosteric Modulators

por Yuan, Jiayi, Jiang, Chen, Wang, Junmei, Chen, Chih-Jung, Hao, Yixuan, Zhao, Guangyi, Feng, Zhiwei, Xie, Xiang-Qun
Publicado 2022

AlzPlatform: An Alzheimer’s Disease Domain-Specific Chemogenomics Knowledgebase for Polypharmacology and Target Identification Research

por Liu, Haibin, Wang, Lirong, Lv, Mingliang, Pei, Rongrong, Li, Peibo, Pei, Zhong, Wang, Yonggang, Su, Weiwei, Xie, Xiang-Qun
Publicado 2014

Molecular Modeling Study of a Receptor–Orthosteric Ligand–Allosteric Modulator Signaling Complex

por Jiang, Chen, He, Xibing, Wang, Yuanqiang, Chen, Chih-Jung, Othman, Yasmin, Hao, Yixuan, Yuan, Jiayi, Xie, Xiang-Qun, Feng, Zhiwei
Publicado 2023

PD-1-Targeted Discovery of Peptide Inhibitors by Virtual Screening, Molecular Dynamics Simulation, and Surface Plasmon Resonance

por Wang, Yuanqiang, Guo, Haiqiong, Feng, Zhiwei, Wang, Siyi, Wang, Yuxuan, He, Qingxiu, Li, Guangping, Lin, Weiwei, Xie, Xiang-Qun, Lin, Zhihua
Publicado 2019

XRK3F2 Inhibition of p62-ZZ Domain Signaling Rescues Myeloma-Induced GFI1-Driven Epigenetic Repression of the Runx2 Gene in Pre-osteoblasts to Overcome Differentiation Suppression

por Adamik, Juraj, Silbermann, Rebecca, Marino, Silvia, Sun, Quanhong, Anderson, Judith L., Zhou, Dan, Xie, Xiang-Qun, Roodman, G. David, Galson, Deborah L.
Publicado 2018

A novel small-molecule antagonizes PRMT5-mediated KLF4 methylation for targeted therapy

por Zhou, Zhuan, Feng, Zhiwei, Hu, Dong, Yang, Peng, Gur, Mert, Bahar, Ivet, Cristofanilli, Massimo, Gradishar, William J., Xie, Xiang-qun, Wan, Yong
Publicado 2019

Insight into Ginkgo biloba L. Extract on the Improved Spatial Learning and Memory by Chemogenomics Knowledgebase, Molecular Docking, Molecular Dynamics Simulation, and Bioassay Val...

por Chen, Yan, Feng, Zhiwei, Shen, Mingzhe, Lin, Weiwei, Wang, Yuanqiang, Wang, Siyi, Li, Caifeng, Wang, Shengfeng, Chen, Maozi, Shan, Weiguang, Xie, Xiang-Qun
Publicado 2020