Guixia Liu

发表

Discovery of Natural Products Targeting NQO1 via an Approach Combining Network-Based Inference and Identification of Privileged Substructures

Zengrui Wu, Weihua Li, Yun Tang, 2021, J. Chem. Inf. Model..

Pathway-Based Drug Repurposing with DPNetinfer: A Method to Predict Drug-Pathway Associations via Network-Based Approaches

Zengrui Wu, Weihua Li, Yun Tang, 2021, J. Chem. Inf. Model..

SMINBR: An Integrated Network and Chemoinformatics Tool Specialized for Prediction of Two-Component Crystal Formation

Zengrui Wu, Weihua Li, Lulu Zheng, 2021, J. Chem. Inf. Model..

In silico prediction of chemical respiratory toxicity via machine learning

Weihua Li, Yun Tang, Piaopiao Zhao, 2021 .

Insights into ligand selectivity in estrogen receptor isoforms: molecular dynamics simulations and binding free energy calculations.

Weihua Li, Yun Tang, Juan Zeng, 2008, The journal of physical chemistry. B.

Interactions of omeprazole-based analogues with cytochrome P450 2C19: a computational study.

Zengrui Wu, Weihua Li, Yun Tang, 2016, Molecular bioSystems.

Exploring coumarin egress channels in human cytochrome p450 2a6 by random acceleration and steered molecular dynamics simulations

Weihua Li, Yun Tang, Tyuji Hoshino, 2011, Proteins.

In silico prediction of chemical toxicity on avian species using chemical category approaches.

Feixiong Cheng, Weihua Li, Yun Tang, 2015, Chemosphere.

Discovery and structure-activity analysis of selective estrogen receptor modulators via similarity-based virtual screening.

Jin Huang, Yun Tang, Guixia Liu, 2012, European journal of medicinal chemistry.

3D-QSAR studies on fluoropyrrolidine amides as dipeptidyl peptidase IV inhibitors by CoMFA and CoMSIA

Yun Tang, Juan Zeng, Hualiang Jiang, 2007, Journal of molecular modeling.

Computational insights into inhibitory mechanism of azole compounds against human aromatase

Weihua Li, Yun Tang, Guixia Liu, 2015 .

Inhibitory mode of indole-2-carboxamide derivatives against HLGPa: molecular docking and 3D-QSAR analyses.

Hong Liu, Xu Shen, Hualiang Jiang, 2004, Bioorganic & medicinal chemistry.

Computational prediction of microRNA networks incorporating environmental toxicity and disease etiology

Jie Li, Feixiong Cheng, Weihua Li, 2014, Scientific Reports.

Insights into subtype selectivity of opioid agonists by ligand-based and structure-based methods

Jing Zhang, Yun Tang, Zhejun Xu, 2011, Journal of molecular modeling.

In silico prediction of chemical aquatic toxicity for marine crustaceans via machine learning.

Weihua Li, Yun Tang, Lixia Sun, 2019, Toxicology research.

In SilicoPrediction of Blood–Brain Partitioning Using a Chemometric Method Called Genetic Algorithm Based Variable Selection

Yun Tang, Yiping Du, Guixia Liu, 2008 .

Butyl 4-(butyryloxy)benzoate functions as a new selective estrogen receptor β agonist and induces GLUT4 expression in CHO-K1 cells

Jin Huang, Xu Shen, Hong Shen, 2008, The Journal of Steroid Biochemistry and Molecular Biology.

Discovery of inhibitors to block interactions of HIV-1 integrase with human LEDGF/p75 via structure-based virtual screening and bioassays.

Weihua Li, Jin Huang, Lei Ma, 2012, Journal of medicinal chemistry.

Pharmacophore modeling of human adenosine receptor A2A antagonists

Feixiong Cheng, Yun Tang, Zhejun Xu, 2010, Journal of molecular modeling.

In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts

Weihua Li, Yun Tang, Lixia Sun, 2018, Front. Chem..

In Silico Estimation of Chemical Carcinogenicity with Binary and Ternary Classification Methods

Zengrui Wu, Weihua Li, Yun Tang, 2015, Molecular informatics.

Insights into the interactions between HIV‐1 integrase and human LEDGF/p75 by molecular dynamics simulation and free energy calculation

Weihua Li, Yun Tang, Juan Zeng, 2008, Proteins.

Effects of protein flexibility on the site of metabolism prediction for CYP2A6 substrates.

Weihua Li, Yun Tang, Lei Wang, 2014, Journal of molecular graphics & modelling.

Investigation of Indazole Unbinding Pathways in CYP2E1 by Molecular Dynamics Simulations

Feixiong Cheng, Weihua Li, Yun Tang, 2012, PloS one.

In silico prediction of pesticide aquatic toxicity with chemical category approaches.

Weihua Li, Yun Tang, Fuxing Li, 2017, Toxicology research.

Possible ligand release pathway of dipeptidyl peptidase IV investigated by molecular dynamics simulations

Weihua Li, Yun Tang, Cui Li, 2011, Proteins.

In silico Prediction of Drug Induced Liver Toxicity Using Substructure Pattern Recognition Method

Feixiong Cheng, Weihua Li, Yun Tang, 2016, Molecular informatics.

Network-based identification of microRNAs as potential pharmacogenomic biomarkers for anticancer drugs

Feixiong Cheng, Zengrui Wu, Weihua Li, 2016, Oncotarget.

Quantitative and systems pharmacology 2. In silico polypharmacology of G protein‐coupled receptor ligands via network‐based approaches

Xiufeng Pang, Feixiong Cheng, Zengrui Wu, 2017, Pharmacological research.

In silico prediction of chemical subcellular localization via multi-classification methods.

Weihua Li, Yun Tang, Yingchun Cai, 2017, MedChemComm.

Insights into binding modes of adenosine A(2B) antagonists with ligand-based and receptor-based methods.

Feixiong Cheng, Yun Tang, Zhejun Xu, 2010, European journal of medicinal chemistry.

Chemical function-based pharmacophore generation of selective κ-opioid receptor agonists by catalyst and phase

Yun Tang, Jing Zhang, Guixia Liu, 2009, Journal of molecular modeling.