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2020 – today
- 2023
[j25]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: 106902 (2023)- 2022
- [j24]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) - 2021
- [j23]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): 882-895 (2021) - [j22]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): 946-962 (2021) - [j21]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) - [j20]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) - 2020
- [j19]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): 4429-4435 (2020) - [i1]Yuemin Bian, Xiang-Qun Xie:
Generative chemistry: drug discovery with deep learning generative models. CoRR abs/2008.09000 (2020)
2010 – 2019
- 2019
- [j18]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): 105-117 (2019) - [j17]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): 447-459 (2019) - [j16]Junmei Wang, Yubin Ge, Xiang-Qun Xie:
Development and Testing of Druglike Screening Libraries. J. Chem. Inf. Model. 59(1): 53-65 (2019) - [j15]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): 1283-1289 (2019) - 2017
- [j14]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): 1101-1111 (2017) - [j13]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): 2686-2698 (2017) - 2016
- [j12]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): 1152-1163 (2016) - [j11]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): 1995-2004 (2016) - 2015
- [j10]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): 572-588 (2015) - 2014
- [j9]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): 1050-1060 (2014) - [j8]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): 2483-2499 (2014) - 2013
- [j7]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): 11-26 (2013) - 2011
- [j6]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): 521-531 (2011) - [j5]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): 807-815 (2011) - [j4]Chao Ma, Lirong Wang, Xiang-Qun Xie:
GPU Accelerated Chemical Similarity Calculation for Compound Library Comparison. J. Chem. Inf. Model. 51(7): 1521-1527 (2011)
2000 – 2009
- 2008
- [j3]Xiang-Qun Xie, Jian-zhong Chen:
Data Mining a Small Molecule Drug Screening Representative Subset from NIH PubChem. J. Chem. Inf. Model. 48(3): 465-475 (2008) - 2007
- [j2]Jian-zhong Chen, Junmei Wang, Xiang-Qun Xie:
GPCR Structure-Based Virtual Screening Approach for CB2 Antagonist Search. J. Chem. Inf. Model. 47(4): 1626-1637 (2007) - 2006
- [j1]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): 2674-2683 (2006)
Coauthor Index
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