Xiang-Qun Xie

Publication Activity (10 Years)

Years Active: 2006-2023
Publications (10 Years): 16

Top Topics

Statistical Analysis And Data Mining

Grand Challenge

Top Venues

J. Chem. Inf. Model.

Briefings Bioinform.

J. Comput. Aided Mol. Des.

Publications

Viet Hoang Man, Xibing He, Phuong H. Nguyen, Celeste Sagui, Christopher Roland, Xiang-Qun Xie, Junmei Wang
Unpolarized laser method for infrared spectrum calculation of amide I C=O bonds in proteins using molecular dynamics simulation. Comput. Biol. Medicine 159 (2023)
Tianjian Liang, Chen Jiang, Jiayi Yuan, Yasmin Othman, Xiang-Qun Xie, Zhiwei Feng
Differential performance of RoseTTAFold in antibody modeling. Briefings Bioinform. 23 (5) (2022)
Zhiwei Feng, Maozi Chen, Ying Xue, Tianjian Liang, Hui Chen, Yuehan Zhou, Thomas D. Nolin, Randall B. Smith, Xiang-Qun Xie
MCCS: a novel recognition pattern-based method for fast track discovery of anti-SARS-CoV-2 drugs. Briefings Bioinform. 22 (2) (2021)
Zhiwei Feng, Maozi Chen, Tianjian Liang, Mingzhe Shen, Hui Chen, Xiang-Qun Xie
Virus-CKB: an integrated bioinformatics platform and analysis resource for COVID-19 research. Briefings Bioinform. 22 (2) (2021)
Maozi Chen, Zhiwei Feng, Siyi Wang, Weiwei Lin, Xiang-Qun Xie
MCCS, a novel characterization method for protein-ligand complex. Briefings Bioinform. 22 (4) (2021)
Tianjian Liang, Hui Chen, Jiayi Yuan, Chen Jiang, Yixuan Hao, Yuanqiang Wang, Zhiwei Feng, Xiang-Qun Xie
IsAb: a computational protocol for antibody design. Briefings Bioinform. 22 (5) (2021)
Yuemin Bian, Xiang-Qun Xie
Generative chemistry: drug discovery with deep learning generative models. CoRR (2020)
Zhiwei Feng, Maozi Chen, Mingzhe Shen, Tianjian Liang, Hui Chen, Xiang-Qun Xie
Pain-CKB, A Pain-Domain-Specific Chemogenomics Knowledgebase for Target Identification and Systems Pharmacology Research. J. Chem. Inf. Model. 60 (10) (2020)
Xibing He, Viet Hoang Man, Beihong Ji, Xiang-Qun Xie, Junmei Wang
Calculate protein-ligand binding affinities with the extended linear interaction energy method: application on the Cathepsin S set in the D3R Grand Challenge 3. J. Comput. Aided Mol. Des. 33 (1) (2019)
Junmei Wang, Yubin Ge, Xiang-Qun Xie
Development and Testing of Druglike Screening Libraries. J. Chem. Inf. Model. 59 (1) (2019)
Maozi Chen, Yankang Jing, Lirong Wang, Zhiwei Feng, Xiang-Qun Xie
DAKB-GPCRs: An Integrated Computational Platform for Drug Abuse Related GPCRs. J. Chem. Inf. Model. 59 (4) (2019)
Haixia Ge, Yuemin Bian, Xibing He, Xiang-Qun Xie, Junmei Wang
Significantly different effects of tetrahydroberberrubine enantiomers on dopamine D1/D2 receptors revealed by experimental study and integrated in silico simulation. J. Comput. Aided Mol. Des. 33 (4) (2019)
Nanyi Wang, Lirong Wang, Xiang-Qun Xie
ProSelection: A Novel Algorithm to Select Proper Protein Structure Subsets for in Silico Target Identification and Drug Discovery Research. J. Chem. Inf. Model. 57 (11) (2017)
Si Chen, Zhiwei Feng, Yun Wang, Shifan Ma, Ziheng Hu, Peng Yang, Yifeng Chai, Xiang-Qun Xie
Discovery of Novel Ligands for TNF-α and TNF Receptor-1 through Structure-Based Virtual Screening and Biological Assay. J. Chem. Inf. Model. 57 (5) (2017)
Jianping Hu, Zhiwei Feng, Shifan Ma, Yu Zhang, Qin Tong, Mohammed Hamed Alqarni, Xiaojun Gou, Xiang-Qun Xie
Difference and Influence of Inactive and Active States of Cannabinoid Receptor Subtype CB2: From Conformation to Drug Discovery. J. Chem. Inf. Model. 56 (6) (2016)
Yu Zhang, Lirong Wang, Zhiwei Feng, Haizi Cheng, Terence Francis McGuire, Yahui Ding, Tao Cheng, Yingdai Gao, Xiang-Qun Xie
StemCellCKB: An Integrated Stem Cell-Specific Chemogenomics KnowledgeBase for Target Identification and Systems-Pharmacology Research. J. Chem. Inf. Model. 56 (10) (2016)
Zhiwei Feng, Larry V. Pearce, Xiaomeng Xu, Xiaole Yang, Peng Yang, Peter M. Blumberg, Xiang-Qun Xie
Structural Insight into Tetrameric hTRPV1 from Homology Modeling, Molecular Docking, Molecular Dynamics Simulation, Virtual Screening, and Bioassay Validations. J. Chem. Inf. Model. 55 (3) (2015)
Zhiwei Feng, Mohammed Hamed Alqarni, Peng Yang, Qin Tong, Ananda Chowdhury, Lirong Wang, Xiang-Qun Xie
Modeling, Molecular Dynamics Simulation, and Mutation Validation for Structure of Cannabinoid Receptor 2 Based on Known Crystal Structures of GPCRs. J. Chem. Inf. Model. 54 (9) (2014)
Haibin Liu, Lirong Wang, Mingliang Lv, Rongrong Pei, Peibo Li, Zhong Pei, Yonggang Wang, Weiwei Su, Xiang-Qun Xie
AlzPlatform: An Alzheimer's Disease Domain-Specific Chemogenomics Knowledgebase for Polypharmacology and Target Identification Research. J. Chem. Inf. Model. 54 (4) (2014)
Chao Ma, Lirong Wang, Peng Yang, Kyaw Z. Myint, Xiang-Qun Xie
LiCABEDS II. Modeling of Ligand Selectivity for G-Protein-Coupled Cannabinoid Receptors. J. Chem. Inf. Model. 53 (1) (2013)
Chao Ma, Lirong Wang, Xiang-Qun Xie
Ligand Classifier of Adaptively Boosting Ensemble Decision Stumps (LiCABEDS) and Its Application on Modeling Ligand Functionality for 5HT-Subtype GPCR Families. J. Chem. Inf. Model. 51 (3) (2011)
Lirong Wang, Zhaojun Xie, Peter Wipf, Xiang-Qun Xie
Residue Preference Mapping of Ligand Fragments in the Protein Data Bank. J. Chem. Inf. Model. 51 (4) (2011)
Chao Ma, Lirong Wang, Xiang-Qun Xie
GPU Accelerated Chemical Similarity Calculation for Compound Library Comparison. J. Chem. Inf. Model. 51 (7) (2011)
Xiang-Qun Xie, Jian-zhong Chen
Data Mining a Small Molecule Drug Screening Representative Subset from NIH PubChem. J. Chem. Inf. Model. 48 (3) (2008)
Jian-zhong Chen, Junmei Wang, Xiang-Qun Xie
GPCR Structure-Based Virtual Screening Approach for CB2 Antagonist Search. J. Chem. Inf. Model. 47 (4) (2007)
Junmei Wang, George Krudy, Xiang-Qun Xie, Chengde Wu, George Holland
Genetic Algorithm-Optimized QSPR Models for Bioavailability, Protein Binding, and Urinary Excretion. J. Chem. Inf. Model. 46 (6) (2006)