Xiang-Qun Xie

28 papers Journal 28
YearRankTypeTitle / Venue / Authors
2025 J jnl
Structural insight into CD20/CD3-bispecific antibodies by molecular modeling.
Comput. Biol. Medicine
Ze-Yu Sun, Tianjian Liang, Yiyang Zhang, Ganqian Hou, Xiaojie Chu, Jing-Zhou Hou, Wei Li, Xiang-Qun Xie, Zhiwei Feng
2024 J jnl
AI-based IsAb2.0 for antibody design.
Briefings Bioinform.
Tianjian Liang, Ze-Yu Sun, Margaret G. Hines, Kerri Jo Penrose, Yixuan Hao, Xiaojie Chu, John W. Mellors, Dimiter S. Dimitrov, Xiang-Qun Xie, Wei Li, Zhiwei Feng
2023 J jnl
Unpolarized laser method for infrared spectrum calculation of amide I C=O bonds in proteins using molecular dynamics simulation.
Comput. Biol. Medicine
Viet Hoang Man, Xibing He, Phuong H. Nguyen, Celeste Sagui, Christopher Roland, Xiang-Qun Xie, Junmei Wang
2022 J jnl
Differential performance of RoseTTAFold in antibody modeling.
Briefings Bioinform.
Tianjian Liang, Chen Jiang, Jiayi Yuan, Yasmin Othman, Xiang-Qun Xie, Zhiwei Feng
2021 J jnl
IsAb: a computational protocol for antibody design.
Briefings Bioinform.
Tianjian Liang, Hui Chen, Jiayi Yuan, Chen Jiang, Yixuan Hao, Yuanqiang Wang, Zhiwei Feng, Xiang-Qun Xie
2021 J jnl
MCCS, a novel characterization method for protein-ligand complex.
Briefings Bioinform.
Maozi Chen, Zhiwei Feng, Siyi Wang, Weiwei Lin, Xiang-Qun Xie
2021 J jnl
MCCS: a novel recognition pattern-based method for fast track discovery of anti-SARS-CoV-2 drugs.
Briefings Bioinform.
Zhiwei Feng, Maozi Chen, Ying Xue, Tianjian Liang, Hui Chen, Yuehan Zhou, Thomas D. Nolin, Randall B. Smith, Xiang-Qun Xie
2021 J jnl
Virus-CKB: an integrated bioinformatics platform and analysis resource for COVID-19 research.
Briefings Bioinform.
Zhiwei Feng, Maozi Chen, Tianjian Liang, Mingzhe Shen, Hui Chen, Xiang-Qun Xie
2020 J jnl
Generative chemistry: drug discovery with deep learning generative models.
CoRR
Yuemin Bian, Xiang-Qun Xie
2020 J jnl
Pain-CKB, A Pain-Domain-Specific Chemogenomics Knowledgebase for Target Identification and Systems Pharmacology Research.
J. Chem. Inf. Model.
Zhiwei Feng, Maozi Chen, Mingzhe Shen, Tianjian Liang, Hui Chen, Xiang-Qun Xie
2019 J jnl
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.
Xibing He, Viet Hoang Man, Beihong Ji, Xiang-Qun Xie, Junmei Wang
2019 J jnl
DAKB-GPCRs: An Integrated Computational Platform for Drug Abuse Related GPCRs.
J. Chem. Inf. Model.
Maozi Chen, Yankang Jing, Lirong Wang, Zhiwei Feng, Xiang-Qun Xie
2019 J jnl
Development and Testing of Druglike Screening Libraries.
J. Chem. Inf. Model.
Junmei Wang, Yubin Ge, Xiang-Qun Xie
2019 J jnl
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.
Haixia Ge, Yuemin Bian, Xibing He, Xiang-Qun Xie, Junmei Wang
2017 J jnl
Discovery of Novel Ligands for TNF-α and TNF Receptor-1 through Structure-Based Virtual Screening and Biological Assay.
J. Chem. Inf. Model.
Si Chen, Zhiwei Feng, Yun Wang, Shifan Ma, Ziheng Hu, Peng Yang, Yifeng Chai, Xiang-Qun Xie
2017 J jnl
ProSelection: A Novel Algorithm to Select Proper Protein Structure Subsets for in Silico Target Identification and Drug Discovery Research.
J. Chem. Inf. Model.
Nanyi Wang, Lirong Wang, Xiang-Qun Xie
2016 J jnl
Difference and Influence of Inactive and Active States of Cannabinoid Receptor Subtype CB2: From Conformation to Drug Discovery.
J. Chem. Inf. Model.
Jianping Hu, Zhiwei Feng, Shifan Ma, Yu Zhang, Qin Tong, Mohammed Hamed Alqarni, Xiaojun Gou, Xiang-Qun Xie
2016 J jnl
StemCellCKB: An Integrated Stem Cell-Specific Chemogenomics KnowledgeBase for Target Identification and Systems-Pharmacology Research.
J. Chem. Inf. Model.
Yu Zhang, Lirong Wang, Zhiwei Feng, Haizi Cheng, Terence Francis McGuire, Yahui Ding, Tao Cheng, Yingdai Gao, Xiang-Qun Xie
2015 J jnl
Structural Insight into Tetrameric hTRPV1 from Homology Modeling, Molecular Docking, Molecular Dynamics Simulation, Virtual Screening, and Bioassay Validations.
J. Chem. Inf. Model.
Zhiwei Feng, Larry V. Pearce, Xiaomeng Xu, Xiaole Yang, Peng Yang, Peter M. Blumberg, Xiang-Qun Xie
2014 J jnl
AlzPlatform: An Alzheimer's Disease Domain-Specific Chemogenomics Knowledgebase for Polypharmacology and Target Identification Research.
J. Chem. Inf. Model.
Haibin Liu, Lirong Wang, Mingliang Lv, Rongrong Pei, Peibo Li, Zhong Pei, Yonggang Wang, Weiwei Su, Xiang-Qun Xie
2014 J jnl
Modeling, Molecular Dynamics Simulation, and Mutation Validation for Structure of Cannabinoid Receptor 2 Based on Known Crystal Structures of GPCRs.
J. Chem. Inf. Model.
Zhiwei Feng, Mohammed Hamed Alqarni, Peng Yang, Qin Tong, Ananda Chowdhury, Lirong Wang, Xiang-Qun Xie
2013 J jnl
LiCABEDS II. Modeling of Ligand Selectivity for G-Protein-Coupled Cannabinoid Receptors.
J. Chem. Inf. Model.
Chao Ma, Lirong Wang, Peng Yang, Kyaw Z. Myint, Xiang-Qun Xie
2011 J jnl
GPU Accelerated Chemical Similarity Calculation for Compound Library Comparison.
J. Chem. Inf. Model.
Chao Ma, Lirong Wang, Xiang-Qun Xie
2011 J jnl
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.
Chao Ma, Lirong Wang, Xiang-Qun Xie
2011 J jnl
Residue Preference Mapping of Ligand Fragments in the Protein Data Bank.
J. Chem. Inf. Model.
Lirong Wang, Zhaojun Xie, Peter Wipf, Xiang-Qun Xie
2008 J jnl
Data Mining a Small Molecule Drug Screening Representative Subset from NIH PubChem.
J. Chem. Inf. Model.
Xiang-Qun Xie, Jian-Zhong Chen
2007 J jnl
GPCR Structure-Based Virtual Screening Approach for CB2 Antagonist Search.
J. Chem. Inf. Model.
Jian-Zhong Chen, Junmei Wang, Xiang-Qun Xie
2006 J jnl
Genetic Algorithm-Optimized QSPR Models for Bioavailability, Protein Binding, and Urinary Excretion.
J. Chem. Inf. Model.
Junmei Wang, George Krudy, Xiang-Qun Xie, Chengde Wu, George Holland