X. Xie

发表

TargetHunter: An In Silico Target Identification Tool for Predicting Therapeutic Potential of Small Organic Molecules Based on Chemogenomic Database

Lirong Wang, Chao Ma, P. Wipf, 2013, The AAPS Journal.

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

Lirong Wang, X. Xie, Nanyi Wang, 2017, J. Chem. Inf. Model..

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

X. Xie, Yuanqiang Wang, Zhi-Hua Lin, 2019, Molecules.

Allosteric Binding Site and Activation Mechanism of Class C G-Protein Coupled Receptors: Metabotropic Glutamate Receptor Family

Zhiwei Feng, Shifan Ma, Xiang-Qun Xie, 2015, The AAPS Journal.

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

X. Xie, T. Nolin, Zhiwei Feng, 2020, Briefings Bioinform..

Discovery of novel INK4C small-molecule inhibitors to promote human and murine hematopoietic stem cell ex vivo expansion

X. Xie, T. Mcguire, T. Cheng, 2015, Scientific Reports.

Chemogenomics knowledgebase and systems pharmacology for hallucinogen target identification-Salvinorin A as a case study.

Lirong Wang, X. Xie, Zhiwei Feng, 2016, Journal of molecular graphics & modelling.

Computational Advances for the Development of Allosteric Modulators and Bitopic Ligands in G Protein-Coupled Receptors

X. Xie, Zhiwei Feng, Shifan Ma, 2015, The AAPS Journal.

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

Zhiwei Feng, Xiang-Qun Xie, Maozi Chen, 2020, ACS omega.

Structural insight into the serotonin (5-HT) receptor family by molecular docking, molecular dynamics simulation and systems pharmacology analysis

X. Xie, Yuanqiang Wang, Zhi-Hua Lin, 2019, Acta Pharmacologica Sinica.

Diverging Rh(I)-catalyzed carbocylization strategy to prepare a library of unique cyclic ethers.

X. Xie, Jianzhong Chen, K. Brummond, 2008, Journal of combinatorial chemistry.

Diverging DOS strategy using an allene-containing tryptophan scaffold and a library design that maximizes biologically relevant chemical space while minimizing the number of compounds.

Xiang-Qun Xie, Lirong Wang, Lirong Wang, 2011, ACS combinatorial science.

Metal binding mediated conformational change of XPA protein:a potential cytotoxic mechanism of nickel in the nucleotide excision repair

Lirong Wang, X. Xie, Jian-ping Hu, 2016, Journal of Molecular Modeling.

Allosteric Modulation of Intact γ-Secretase Structural Dynamics.

Ji Young Lee, I. Bahar, X. Xie, 2017, Biophysical journal.

SQSTM1/p62: A Potential Target for Neurodegenerative Disease.

X. Xie, Shifan Ma, Insiya Y. Attarwala, 2019, ACS chemical neuroscience.

Synthesis of 15N and 13C selectively labeled anandamide

X. Xie, A. Makriyannis, Hongqin Yang, 2002 .

Target-selective phototherapy using a ligand-based photosensitizer for type 2 cannabinoid receptor.

X. Xie, Pin Shao, Q. Tong, 2014, Chemistry & biology.

Sequestsome-1/p62-targeted small molecules for pancreatic cancer therapy.

X. Xie, M. Lotze, P. Murthy, 2021, Drug discovery today.

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

Xiang-Qun Xie, X. Xie, Jian-Zhong Chen, 2008, J. Chem. Inf. Model..

Targeting cannabinoid receptor‐2 pathway by phenylacetylamide suppresses the proliferation of human myeloma cells through mitotic dysregulation and cytoskeleton disruption

Lirong Wang, X. Xie, G. Roodman, 2015, Molecular carcinogenesis.

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

John R. Goodell, Lirong Wang, X. Xie, 2012, Beilstein journal of organic chemistry.

Autophagy And Apoptosis Specifc Knowledgebases-Guided Systems Pharmacology Drug Research.

Lirong Wang, X. Xie, Nanyi Wang, 2019, Current cancer drug targets.

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

Lirong Wang, X. Xie, Ying Mu, 2014, BMC Pharmacology and Toxicology.

Advances in recent patent and clinical trial drug development for Alzheimer's disease.

Lirong Wang, Haibin Liu, W. Su, 2014, Pharmaceutical patent analyst.

Biosynthesis, purification, and characterization of a cannabinoid receptor 2 fragment (CB2(271-326)).

X. Xie, Yuxun Zhang, 2008, Protein expression and purification.

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

I. Bahar, W. Gradishar, X. Xie, 2019, EBioMedicine.

IsAb: a computational protocol for antibody design

Zhiwei Feng, Xiang-Qun Xie, Tianjian Liang, 2021, Briefings Bioinform..

An insight into paracetamol and its metabolites using molecular docking and molecular dynamics simulation

Junmei Wang, X. Xie, Yuanqiang Wang, 2018, Journal of Molecular Modeling.

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

Junmei Wang, X. Xie, Xibing He, 2019, Scientific Reports.

Implementation of Diverse Synthetic and Strategic Approaches to Biologically Active Sulfamides

X. Xie, J. J. Jun, 2021 .

Cryo-EM Structure of the Human Cannabinoid Receptor CB2-Gi Signaling Complex

Junmei Wang, X. Xie, H. Xu, 2020, Cell.

In Silico Chemogenomics Knowledgebase and Computational System Neuropharmacology Approach for Cannabinoid Drug Research

Junmei Wang, Lirong Wang, X. Xie, 2016 .

Analysis of substance use and its outcomes by machine learning I. Childhood evaluation of liability to substance use disorder.

Lirong Wang, X. Xie, L. Kirisci, 2019, Drug and alcohol dependence.

Targeted inhibition of the type 2 cannabinoid receptor is a novel approach to reduce renal fibrosis.

X. Xie, Youhua Liu, Yuan Tian, 2018, Kidney international.

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

Wei Wu, Lirong Wang, X. Xie, 2018, bioRxiv.

Chemogenomics Mapping of Potential Drugs and Targets for Treatment of Multiple Myeloma

X. Xie, Shifan Ma, 2021 .

In silico design novel vibsanin B derivatives as inhibitor for heat shock protein 90 based on 3D-QSAR, molecular docking and molecular dynamics simulation

X. Xie, Yong Hu, Yuanqiang Wang, 2020, Journal of biomolecular structure & dynamics.

Synergism of antihypertensives and cholinesterase inhibitors in Alzheimer's disease

J. Becker, O. Lopez, W. Klunk, 2018, Alzheimer's & dementia.

Integrated In Silico Fragment-Based Drug Design: Case Study with Allosteric Modulators on Metabotropic Glutamate Receptor 5

X. Xie, Zhiwei Feng, Peng Yang, 2017, The AAPS Journal.

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

Junmei Wang, X. Xie, Shuhan Liu, 2019, Drugs in R&D.

New cross-bridged cyclam derivative CB-TE1K1P, an improved bifunctional chelator for copper radionuclides.

X. Xie, C. Anderson, Zhengxin Cai, 2014, Chemical communications.

Blocking the ZZ Domain of Sequestosome1/p62 Suppresses Myeloma Growth and Osteoclast Formation In Vitro and Induces Dramatic Bone Formation in Myeloma-Bearing Bones In Vivo

Wei Zhao, X. Xie, K. Mohammad, 2015, Leukemia.

Prediction of Orthosteric and Allosteric Regulations on Cannabinoid Receptors Using Supervised Machine Learning Classifiers.

Shifan Ma, Xiang-Qun Xie, Yuemin Bian, 2019, Molecular pharmaceutics.

Covalent allosteric modulation: An emerging strategy for GPCRs drug discovery.

X. Xie, Jacob Cuyler, J. J. Jun, 2020, European journal of medicinal chemistry.

Effects of α-Mangostin Derivatives on the Alzheimer’s Disease Model of Rats and Their Mechanism: A Combination of Experimental Study and Computational Systems Pharmacology Analysis

X. Xie, Yan Chen, Z. Zhan, 2020, ACS omega.

Multi-Functional Diarylurea Small Molecule Inhibitors of TRPV1 with Therapeutic Potential for Neuroinflammation

Y. Zhang, X. Xie, P. Blumberg, 2016, The AAPS Journal.

The efficacy and safety of cilostazol as an alternative to aspirin in Chinese patients with aspirin intolerance after coronary stent implantation: a combined clinical study and computational system pharmacology analysis

X. Xie, Zhi-wei Feng, Y. Xue, 2017, Acta Pharmacologica Sinica.

Xie2-64, a novel CB2 receptor inverse agonist, reduces cocaine abuse-related behaviors in rodents

Z. Xi, X. Xie, Zhi-wei Feng, 2020, Neuropharmacology.

Regulation of autophagic proteolysis by the N-recognin SQSTM1/p62 of the N-end rule pathway

A. Ciechanover, X. Xie, Y. Kwon, 2017, Autophagy.

Enhanced self-renewal of human long-term hematopoietic stem cells by a sulfamoyl benzoate derivative targeting p18INK4C.

X. Xie, T. Cheng, Ying-dai Gao, 2021, Blood advances.

Nanoassembly of surfactants with interfacial drug-interactive motifs as tailor-designed drug carriers.

P. Wipf, X. Xie, Peijun Zhang, 2013, Molecular pharmaceutics.

Xie2-64, a novel CB2R ligand, reduces cocaine abuse-related behaviors in rodents

Z. Xi, X. Xie, C. Jordan, 2020 .

Expression, purification, and isotope labeling of cannabinoid CB2 receptor fragment, CB2180–233

X. Xie, Haian Zheng, Ju Zhao, 2004 .

Cryo-EM Structure of the Human Cannabinoid Receptor CB2-G i Signaling Complex

X. Xie, H. Xu, Gongpu Zhao, 2020 .

End-Point Free Energy Prediction using PB and MSSAS

X. Xie, L. Kirisci, Zhiwei Feng, 2022 .

Beta-caryophyllene is a dietary cannabinoid

Xiang-Qun Xie, Andreas Zimmer, Karl-Heinz Altmann, 2008, Proceedings of the National Academy of Sciences.

The structure of 10-epi-lyfoline, a novel alkaloid from Heimia montana

X. Xie, A. Rother, J. Edwards, 1995 .

Construction of a spirooxindole amide library through nitrile hydrozirconation-acylation-cyclization cascade.

Lirong Wang, X. Xie, Chunliang Lu, 2013, ACS combinatorial science.

Novel triaryl sulfonamide derivatives as selective cannabinoid receptor 2 inverse agonists and osteoclast inhibitors: discovery, optimization, and biological evaluation.

Qin Tong, Xiang-Qun Xie, Lirong Wang, 2013, Journal of medicinal chemistry.

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

Haibin Liu, Yonggang Wang, Lirong Wang, 2014, J. Chem. Inf. Model..

Alkylamides from Echinacea Are a New Class of Cannabinomimetics

Xiang-Qun Xie, Bernard Faller, Karl-Heinz Altmann, 2006, Journal of Biological Chemistry.

NMR Structural Comparison of the Cytoplasmic Juxtamembrane Domains of G-protein-coupled CB1 and CB2 Receptors in Membrane Mimetic Dodecylphosphocholine Micelles*

Xiang-Qun Xie, X. Xie, Jian-Zhong Chen, 2005, Journal of Biological Chemistry.

p62/SQSTM1/Sequestosome-1 is an N-recognin of the N-end rule pathway which modulates autophagosome biogenesis

Min Jae Lee, A. Ciechanover, X. Xie, 2017, Nature Communications.

Cytotoxic limonoids from Trichilia americana leaves.

X. Xie, Huabin Hu, Juan Guo, 2015, Phytochemistry.

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

Zhiwei Feng, Xiang-Qun Xie, Maozi Chen, 2020, Briefings Bioinform..

TargetHunter: An In Silico Target Identification Tool for Predicting Therapeutic Potential of Small Organic Molecules Based on Chemogenomic Database

Lirong Wang, Chao Ma, P. Wipf, 2013, The AAPS Journal.

Thiosugars II. A novel approach to thiodisaccharides The synthesis of 3-deoxy-4-thiocellobiose from levoglucosenone

X. Xie, Z. Witczak, Hong Chen, 1997 .

3D structural model of the G‐protein‐coupled cannabinoid CB2 receptor

Xiang-Qun Xie, X. Xie, E. Billings, 2003, Proteins.

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

Xiang-Qun Xie, Yuemin Bian, Xibing He, 2019, Journal of Computer-Aided Molecular Design.

Computational Systems Pharmacology-Target Mapping for Fentanyl-laced Cocaine Overdose.

Zhiwei Feng, Maozi Chen, Siyi Wang, 2019, ACS chemical neuroscience.

Generative chemistry: drug discovery with deep learning generative models

X. Xie, Yuemin Bian, 2020, Journal of Molecular Modeling.

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

Zhiwei Feng, Lirong Wang, Yu Zhang, 2016, J. Chem. Inf. Model..

Structure-based design of novel biphenyl amide antagonists of human Transient Receptor Potential Cation Channel Subfamily M Member 8 channels (TRPM8) with potential implications in the treatment of sensory neuropathies.

X. Xie, Yuanqiang Wang, G. Fernández-Ballester, 2019, ACS chemical neuroscience.

Fast approaches for molecular polarizability calculations.

Xiang-Qun Xie, Xiaojie Xu, Junmei Wang, 2007, The journal of physical chemistry. A.

Comparative Normal/Failing Rat Myocardium Cell Membrane Chromatographic Analysis System for Screening Specific Components That Counteract Doxorubicin-Induced Heart Failure from Acontium carmichaeli

Zhanying Hong, Yifeng Chai, Xiang-Qun Xie, 2014, Analytical chemistry.

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

Xiang-Qun Xie, Jian-zhong Chen, X. Xie, 2008, J. Chem. Inf. Model..

Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ16-22 Dimer.

Junmei Wang, P. Derreumaux, X. Xie, 2019, Journal of chemical theory and computation.

MCCS, a novel characterization method for protein-ligand complex

Zhiwei Feng, Xiang-Qun Xie, Maozi Chen, 2020, Briefings Bioinform..

p62/SQSTM1/Sequestosome-1 is an N-recognin of the N-end rule pathway which modulates autophagosome biogenesis

Min Jae Lee, A. Ciechanover, X. Xie, 2017, Nature Communications.

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

Jianping Hu, Yu Zhang, Zhiwei Feng, 2016, J. Chem. Inf. Model..

Development and Testing of Druglike Screening Libraries

Junmei Wang, Yubin Ge, Xiang-Qun Xie, 2018, J. Chem. Inf. Model..

Small-molecule inhibitors targeting INK4 protein p18INK4C enhance ex vivo expansion of haematopoietic stem cells

Weiping Yuan, Xiang-Qun Xie, Hui Cheng, 2015, Nature Communications.

Trisubstituted Sulfonamides: a New Chemotype for Development of Potent and Selective CB2 Receptor Inverse Agonists.

Qin Tong, Xiang-Qun Xie, X. Xie, 2013, ACS medicinal chemistry letters.

Deep Learning for Drug Design: an Artificial Intelligence Paradigm for Drug Discovery in the Big Data Era

Yuemin Bian, Ziheng Hu, Lirong Wang, 2018, The AAPS Journal.

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

X. Xie, D. Galson, Quanhong Sun, 2018, Front. Endocrinol..

Recent advances in antimultiple myeloma drug development.

X. Xie, Patrick Bartlow, Qin Ouyang, 2014, Pharmaceutical patent analyst.

Lipophilicity screening of novel drug-like compounds and comparison to clog P.

P. Wipf, X. Xie, S. Weber, 2012, Journal of chromatography. A.

Introducing Virtual Oligomerization Inhibition to Identify Potent Inhibitors of Aβ Oligomerization.

Junmei Wang, X. Xie, Shuhan Liu, 2020, Journal of chemical theory and computation.

Drug-Drug Interaction Between Oxycodone and Diazepam by a Combined in Silico Pharmacokinetic and Pharmacodynamic Modeling Approach.

Junmei Wang, X. Xie, A. Gough, 2021, ACS chemical neuroscience.

Chemogenomics Systems Pharmacology Mapping of Potential Drug Targets for Treatment of Traumatic Brain Injury.

Lirong Wang, X. Xie, T. Mcguire, 2019, Journal of neurotrauma.

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

Junmei Wang, X. Xie, Xibing He, 2019, Scientific Reports.

Latest advances in novel cannabinoid CB(2) ligands for drug abuse and their therapeutic potential.

Xiang-Qun Xie, Lirong Wang, Lirong Wang, 2012, Future medicinal chemistry.

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

Xiang-Qun Xie, X. Xie, C. Milcarek, 2014, BMC Pharmacology and Toxicology.

Lead discovery, chemistry optimization, and biological evaluation studies of novel biamide derivatives as CB2 receptor inverse agonists and osteoclast inhibitors.

Qin Tong, Xiang-Qun Xie, Lirong Wang, 2012, Journal of medicinal chemistry.

Examining the critical roles of human CB2 receptor residues Valine 3.32 (113) and Leucine 5.41 (192) in ligand recognition and downstream signaling activities.

Lirong Wang, X. Xie, M. Alqarni, 2014, Biochemical and biophysical research communications.

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

Peng Yang, Zhiwei Feng, Lirong Wang, 2014, J. Chem. Inf. Model..

A transmembrane helix‐bundle from G‐protein coupled receptor CB2: Biosynthesis, purification, and NMR characterization

X. Xie, Haian Zheng, Ju Zhao, 2006, Biopolymers.

Prediction of the binding affinities and selectivity for CB1 and CB2 ligands using homology modeling, molecular docking, molecular dynamics simulations, and MM-PBSA binding free energy calculations.

Junmei Wang, X. Xie, Shuhan Liu, 2020, ACS chemical neuroscience.

Preferred conformations of endogenous cannabinoid ligand anandamide.

X. Xie, Xiuwen Han, Jian-zhong Chen, 2005, Life sciences.

How Do Modulators Affect the Orthosteric and Allosteric Binding Pockets?

X. Xie, Zhiwei Feng, Maozi Chen, 2022, ACS chemical neuroscience.

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

Junmei Wang, X. Xie, Zhiwei Feng, 2022, Molecules.

Binding Characterization of Agonists and Antagonists by MCCS: A Case Study from Adenosine A2A Receptor.

X. Xie, Zhiwei Feng, Siyi Wang, 2021, ACS chemical neuroscience.

Binding Characterization of GPCRs-Modulator by Molecular Complex Characterizing System (MCCS).

X. Xie, Zhiwei Feng, Siyi Wang, 2020, ACS chemical neuroscience.

Mutagenesis and computer modeling studies of a GPCR conserved residue W5.43(194) in ligand recognition and signal transduction for CB2 receptor.

Xiang-Qun Xie, Lirong Wang, Zhaojun Xie, 2011, International immunopharmacology.

Computational systems pharmacology analysis of cannabidiol: a combination of chemogenomics-knowledgebase network analysis and integrated in silico modeling and simulation

Junmei Wang, Lirong Wang, X. Xie, 2018, Acta Pharmacologica Sinica.

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

Peng Yang, Si Chen, Yun Wang, 2017, J. Chem. Inf. Model..

Structural and in Vitro Functional Characterization of a Menthyl TRPM8 Antagonist Indicates Species-Dependent Regulation.

X. Xie, Yuanqiang Wang, A. Fernández-Carvajal, 2021, ACS medicinal chemistry letters.

Computational Fragment-Based Drug Design: Current Trends, Strategies, and Applications

Yuemin Bian, Xiang-Qun Sean Xie, X. Xie, 2018, The AAPS Journal.

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

Peng Yang, Chao Ma, Lirong Wang, 2013, J. Chem. Inf. Model..

Two Novel Phenalenones from Dilatris viscosa

X. Xie, G. Dora, J. Edwards, 1993 .

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

X. Xie, Zhiwei Feng, Maozi Chen, 2022, ACS omega.

Pain Chemogenomics Knowledgebase (Pain-CKB) for Systems Pharmacology Target Mapping and PBPK Modeling Investigation of Opioid Drug-Drug Interactions.

X. Xie, Mingzhe Shen, R. Bertz, 2020, ACS chemical neuroscience.

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

Zhiwei Feng, Xiang-Qun Xie, Lirong Wang, 2019, J. Chem. Inf. Model..

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

X. Xie, Yuanqiang Wang, Xibing He, 2023, ACS chemical neuroscience.

Cardiovascular Disease Chemogenomics Knowledgebase-guided Target Identification and Drug Synergy Mechanism Study of an Herbal Formula

Yifeng Chai, Zhiwei Feng, Shifan Ma, 2016, Scientific Reports.

N-terminal arginylation generates a bimodal degron that modulates autophagic proteolysis

A. Ciechanover, X. Xie, Y. Kwon, 2018, Proceedings of the National Academy of Sciences.

Exploiting PubChem for virtual screening

Xiang-Qun Xie, X. Xie, 2010, Expert opinion on drug discovery.

Identification and characterization of human apurinic/apyrimidinic endonuclease-1 inhibitors.

Lirong Wang, X. Xie, B. Gold, 2012, Biochemistry.

Design and activity of AP endonuclease-1 inhibitors

Zhiwei Feng, Xiang-Qun Xie, Paul A Johnston, 2015, Journal of chemical biology.

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

Xiang-Qun Xie, X. Xie, Kyaw Zeyar Myint, 2010, International journal of molecular sciences.

A novel in silico method to predict drug PK profile in human and its application to build the PBPK model of Hydroxychloroquine for COVID-19 treatment by

Lirong Wang, X. Xie, T. Nolin, 2021 .

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

Junmei Wang, Xiang-Qun Xie, George Krudy, 2006, J. Chem. Inf. Model..

Title Page In Silico Simulation of DUSP-YIV906 Protein-Ligand Interactions and DUSP3- ERK Protein-Peptide Interactions by

Lirong Wang, X. Xie, D. Koes, 2020 .

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

Xiang-Qun Xie, Lirong Wang, Lirong Wang, 2013, Front. Pharmacol..

Advances in methods to characterize ligand-induced ionic lock and rotamer toggle molecular switch in G protein-coupled receptors.

Xiang-Qun Xie, Ananda Chowdhury, X. Xie, 2013, Methods in enzymology.

Multi-Functional Diarylurea Small Molecule Inhibitors of TRPV1 with Therapeutic Potential for Neuroinflammation

X. Xie, P. Blumberg, Yu Zhang, 2016, The AAPS Journal.

Lifespan extension by n-butanol extract from seed of Platycladus orientalis in Caenorhabditis elegans.

Yan Zhang, Ning Wang, Xiang-Qun Xie, 2013, Journal of ethnopharmacology.

Molecular fingerprint-based artificial neural networks QSAR for ligand biological activity predictions.

Qin Tong, Xiang-Qun Xie, Lirong Wang, 2012, Molecular pharmaceutics.

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

X. Xie, Tianling Hou, Terence McGuire, 2021, Biomolecules.

Analysis of substance use and its outcomes by machine learning: II. Derivation and prediction of the trajectory of substance use severity.

Lirong Wang, X. Xie, L. Kirisci, 2020, Drug and alcohol dependence.

Allosteric Binding Site and Activation Mechanism of Class C G-Protein Coupled Receptors: Metabotropic Glutamate Receptor Family

X. Xie, Zhiwei Feng, Shifan Ma, 2015, The AAPS Journal.

Integrated In Silico Fragment-Based Drug Design: Case Study with Allosteric Modulators on Metabotropic Glutamate Receptor 5

X. Xie, Zhiwei Feng, Peng Yang, 2017, The AAPS Journal.

Computational Advances for the Development of Allosteric Modulators and Bitopic Ligands in G Protein-Coupled Receptors

X. Xie, Zhiwei Feng, Shifan Ma, 2015, The AAPS Journal.

GPCR Structure-Based Virtual Screening Approach for CB2 Antagonist Search

Junmei Wang, Xiang-Qun Xie, Jian-zhong Chen, 2007, J. Chem. Inf. Model..

Molecular Mechanism and Kinetics of Amyloid-β42 Aggregate Formation: A Simulation Study.

Junmei Wang, X. Xie, Shuhan Liu, 2019, ACS chemical neuroscience.

Deep Learning for Drug Design: an Artificial Intelligence Paradigm for Drug Discovery in the Big Data Era

Lirong Wang, X. Xie, Yankang Jing, 2018, The AAPS Journal.

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

Junmei Wang, Xiang-Qun Xie, Beihong Ji, 2018, Journal of Computer-Aided Molecular Design.

Linear and Nonlinear Support Vector Machine for the Classification of Human 5‐HT1A Ligand Functionality

Chao Ma, Lirong Wang, Peter Wipf, 2012, Molecular informatics.

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

X. Xie, C. Roland, P. Nguyen, 2023, Comput. Biol. Medicine.

Ligand biological activity predictions using fingerprint-based artificial neural networks (FANN-QSAR).

Xiang-Qun Xie, Kyaw Z Myint, X. Xie, 2015, Methods in molecular biology.

Residue Preference Mapping of Ligand Fragments in the Protein Data Bank

Lirong Wang, Xiang-Qun Xie, Peter Wipf, 2011, J. Chem. Inf. Model..

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, 2011, J. Chem. Inf. Model..

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

X. Xie, Yuemin Bian, 2022, Cells.

Computational target fishing: what should chemogenomics researchers expect for the future of in silico drug design and discovery?

Xiang-Qun Xie, Lirong Wang, Lirong Wang, 2014, Future medicinal chemistry.

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

Peng Yang, Xiaole Yang, Xiaomeng Xu, 2015, J. Chem. Inf. Model..

Metabolism-guided development of Ko143 analogs as ABCG2 inhibitors.

P. Wipf, X. Xie, Junjie Zhu, 2023, European journal of medicinal chemistry.

Deep convolutional generative adversarial network (dcGAN) models for screening and design of small molecules targeting cannabinoid receptors.

Junmei Wang, Yuemin Bian, Xiang-Qun Xie, 2019, Molecular pharmaceutics.

Blocking the ZZ Domain of Sequestosome 1/p62 Suppress the Enhancement of Myeloma Cell Growth and Osteoclast Formation by Marrow Stromal Cells

X. Xie, N. Kurihara, J. Windle, 2011 .

Mistic and TarCF as fusion protein partners for functional expression of the cannabinoid receptor 2 in Escherichia coli.

X. Xie, Yuxun Zhang, Q. Tong, 2012, Protein expression and purification.

3D-QSAR studies of arylpyrazole antagonists of cannabinoid receptor subtypes CB1 and CB2. A combined NMR and CoMFA approach.

Qian Liu, Xiang-Qun Xie, Junmei Wang, 2006, Journal of medicinal chemistry.

Correction to: Deep Learning for Drug Design: an Artificial Intelligence Paradigm for Drug Discovery in the Big Data Era

Lirong Wang, X. Xie, Yankang Jing, 2018, The AAPS Journal.

Correction to: Deep Learning for Drug Design: an Artificial Intelligence Paradigm for Drug Discovery in the Big Data Era

Xiang-Qun Xie, Yuemin Bian, Ziheng Hu, 2018, The AAPS Journal.

GPU Accelerated Chemical Similarity Calculation for Compound Library Comparison

Chao Ma, Lirong Wang, Xiang-Qun Xie, 2011, J. Chem. Inf. Model..

Small-molecule inhibitors targeting INK4 protein p18INK4C enhance ex vivo expansion of haematopoietic stem cells

Lirong Wang, Haibin Liu, X. Xie, 2015, Nature Communications.

Lead discovery, chemistry optimization, and biological evaluation studies of novel biamide derivatives as CB2 receptor inverse agonists and osteoclast inhibitors.

Lirong Wang, X. Xie, G. Roodman, 2012, Journal of medicinal chemistry.

NMR characterization of paclitaxel/poly (styrene-isobutylene-styrene) formulations.

X. Xie, Jian-zhong Chen, S. Ranade, 2005, International journal of pharmaceutics.

64Cu-Labeled Somatostatin Analogues Conjugated with Cross-Bridged Phosphonate-Based Chelators via Strain-Promoted Click Chemistry for PET Imaging: In silico through in Vivo Studies

Carolyn J. Anderson, Xiang-Qun Xie, Lirong Wang, 2014, Journal of medicinal chemistry.

Targeting the endocannabinoid system: structural determinants and molecular mechanism of allosteric modulation.

X. Xie, Zhiwei Feng, G. Hou, 2023, Drug discovery today.

Differential performance of RoseTTAFold in antibody modeling

X. Xie, Zhiwei Feng, Tianjian Liang, 2022, Briefings Bioinform..