Xiang-Qun Xie

According to our database, Xiang-Qun Xie authored at least 26 papers between 2006 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

Unpolarized laser method for infrared spectrum calculation of amide I C=O bonds in proteins using molecular dynamics simulation.

Viet Hoang Man, Xibing He, Phuong H. Nguyen, Celeste Sagui, Christopher Roland, Xiang-Qun Xie, Junmei Wang

Comput. Biol. Medicine, June, 2023

2022

Differential performance of RoseTTAFold in antibody modeling.

Tianjian Liang, Chen Jiang, Jiayi Yuan, Yasmin Othman, Xiang-Qun Xie, Zhiwei Feng

Briefings Bioinform., 2022

2021

IsAb: a computational protocol for antibody design.

Tianjian Liang, Hui Chen, Jiayi Yuan, Chen Jiang, Yixuan Hao, Yuanqiang Wang, Zhiwei Feng, Xiang-Qun Xie

Briefings Bioinform., 2021

MCCS: a novel recognition pattern-based method for fast track discovery of anti-SARS-CoV-2 drugs.

Zhiwei Feng, Maozi Chen, Ying Xue, Tianjian Liang, Hui Chen, Yuehan Zhou, Thomas D. Nolin, Randall B. Smith, Xiang-Qun Xie

Briefings Bioinform., 2021

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

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

Briefings Bioinform., 2021

MCCS, a novel characterization method for protein-ligand complex.

Maozi Chen, Zhiwei Feng, Siyi Wang, Weiwei Lin, Xiang-Qun Xie

Briefings Bioinform., 2021

2020

Pain-CKB, A Pain-Domain-Specific Chemogenomics Knowledgebase for Target Identification and Systems Pharmacology Research.

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

J. Chem. Inf. Model., 2020

Generative chemistry: drug discovery with deep learning generative models.

Yuemin Bian, Xiang-Qun Xie

CoRR, 2020

2019

Development and Testing of Druglike Screening Libraries.

Junmei Wang, Yubin Ge, Xiang-Qun Xie

J. Chem. Inf. Model., 2019

DAKB-GPCRs: An Integrated Computational Platform for Drug Abuse Related GPCRs.

Maozi Chen, Yankang Jing, Lirong Wang, Zhiwei Feng, Xiang-Qun Xie

J. Chem. Inf. Model., 2019

Calculate protein-ligand binding affinities with the extended linear interaction energy method: application on the Cathepsin S set in the D3R Grand Challenge 3.

Xibing He, Viet Hoang Man, Beihong Ji, Xiang-Qun Xie, Junmei Wang

J. Comput. Aided Mol. Des., 2019

Significantly different effects of tetrahydroberberrubine enantiomers on dopamine D1/D2 receptors revealed by experimental study and integrated in silico simulation.

Haixia Ge, Yuemin Bian, Xibing He, Xiang-Qun Xie, Junmei Wang

J. Comput. Aided Mol. Des., 2019

2017

ProSelection: A Novel Algorithm to Select Proper Protein Structure Subsets for in Silico Target Identification and Drug Discovery Research.

Nanyi Wang, Lirong Wang, Xiang-Qun Xie

J. Chem. Inf. Model., November, 2017

Discovery of Novel Ligands for TNF-α and TNF Receptor-1 through Structure-Based Virtual Screening and Biological Assay.

Si Chen, Zhiwei Feng, Yun Wang, Shifan Ma, Ziheng Hu, Peng Yang, Yifeng Chai, Xiang-Qun Xie

J. Chem. Inf. Model., 2017

2016

StemCellCKB: An Integrated Stem Cell-Specific Chemogenomics KnowledgeBase for Target Identification and Systems-Pharmacology Research.

Yu Zhang, Lirong Wang, Zhiwei Feng, Haizi Cheng, Terence Francis McGuire, Yahui Ding, Tao Cheng, Yingdai Gao, Xiang-Qun Xie

J. Chem. Inf. Model., 2016

Difference and Influence of Inactive and Active States of Cannabinoid Receptor Subtype CB2: From Conformation to Drug Discovery.

Jianping Hu, Zhiwei Feng, Shifan Ma, Yu Zhang, Qin Tong, Mohammed Hamed Alqarni, Xiaojun Gou, Xiang-Qun Xie

J. Chem. Inf. Model., 2016

2015

Structural Insight into Tetrameric hTRPV1 from Homology Modeling, Molecular Docking, Molecular Dynamics Simulation, Virtual Screening, and Bioassay Validations.

Zhiwei Feng, Larry V. Pearce, Xiaomeng Xu, Xiaole Yang, Peng Yang, Peter M. Blumberg, Xiang-Qun Xie

J. Chem. Inf. Model., 2015

2014

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

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

J. Chem. Inf. Model., 2014

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

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

J. Chem. Inf. Model., 2014

2013

LiCABEDS II. Modeling of Ligand Selectivity for G-Protein-Coupled Cannabinoid Receptors.

Chao Ma, Lirong Wang, Peng Yang, Kyaw Z. Myint, Xiang-Qun Xie

J. Chem. Inf. Model., 2013

2011

Residue Preference Mapping of Ligand Fragments in the Protein Data Bank.

Lirong Wang, Zhaojun Xie, Peter Wipf, Xiang-Qun Xie

J. Chem. Inf. Model., 2011

GPU Accelerated Chemical Similarity Calculation for Compound Library Comparison.

Chao Ma, Lirong Wang, Xiang-Qun Xie

J. Chem. Inf. Model., 2011

Ligand Classifier of Adaptively Boosting Ensemble Decision Stumps (LiCABEDS) and Its Application on Modeling Ligand Functionality for 5HT-Subtype GPCR Families.

Chao Ma, Lirong Wang, Xiang-Qun Xie

J. Chem. Inf. Model., 2011

2008

Data Mining a Small Molecule Drug Screening Representative Subset from NIH PubChem.

Xiang-Qun Xie, Jian-zhong Chen

J. Chem. Inf. Model., 2008

2007

GPCR Structure-Based Virtual Screening Approach for CB2 Antagonist Search.

Jian-zhong Chen, Junmei Wang, Xiang-Qun Xie

J. Chem. Inf. Model., 2007

2006

Genetic Algorithm-Optimized QSPR Models for Bioavailability, Protein Binding, and Urinary Excretion.

Junmei Wang, George Krudy, Xiang-Qun Xie, Chengde Wu, George Holland

J. Chem. Inf. Model., 2006