Yun Tang

发表

Prediction of Farnesoid X Receptor Disruptors with Machine Learning Methods.

Hongbin Yang, Zengrui Wu, Weihua Li, 2018, Chemical research in toxicology.

Computational models to predict endocrine-disrupting chemical binding with androgen or oestrogen receptors.

Lu Sun, Feixiong Cheng, Weihua Li, 2014, Ecotoxicology and environmental safety.

ADMET-score - a comprehensive scoring function for evaluation of chemical drug-likeness.

Hongbin Yang, Lixia Sun, Weihua Li, 2019, MedChemComm.

Quantitative Regression Models for the Prediction of Chemical Properties by an Efficient Workflow

Weihua Li, Guixia Liu, Yun Tang, 2015, Molecular informatics.

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

Hongbin Yang, Lixia Sun, Weihua Li, 2018, Front. Chem..

Multiclassification Prediction of Enzymatic Reactions for Oxidoreductases and Hydrolases Using Reaction Fingerprints and Machine Learning Methods

Hongbin Yang, Weihua Li, Guixia Liu, 2018, J. Chem. Inf. Model..

A Teaching Procedure about Accurate Nanofabrication in Practice Education to Graduate Students

Ding Wang, Hao Sun, Deng-Guang Yu, 2018 .

Prediction of the skin sensitising potential and potency of compounds via mechanism-based binary and ternary classification models.

Guixia Liu, Weihua Li, Changsheng Jiang, 2019, Toxicology in vitro : an international journal published in association with BIBRA.

In Silico Prediction of Endocrine Disrupting Chemicals Using Single-Label and Multilabel Models

Hongbin Yang, Lixia Sun, Weihua Li, 2019, J. Chem. Inf. Model..

Dissecting the Structural Plasticity and Dynamics of Cytochrome P450 2B4 by Molecular Dynamics Simulations

Weihua Li, Yun Tang, Junhao Li, 2020, J. Chem. Inf. Model..

In silico prediction of chemical genotoxicity using machine learning methods and structural alerts.

Hongbin Yang, Weihua Li, Yun Tang, 2018, Toxicology research.

Computational Prediction of Site of Metabolism for UGT-Catalyzed Reactions

Hongbin Yang, Weihua Li, Guixia Liu, 2018, J. Chem. Inf. Model..

ADMETopt: A Web Server for ADMET Optimization in Drug Design via Scaffold Hopping

Hongbin Yang, Lixia Sun, Weihua Li, 2018, J. Chem. Inf. Model..

Zero-shot Text-to-SQL Learning with Auxiliary Task

Bowen Zhou, Xiaodong He, Pengfei Liu, 2019, AAAI.

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..

Homotropic Cooperativity of Midazolam Metabolism by Cytochrome P450 3A4: Insight from Computational Studies

Weihua Li, Yun Tang, Yaoquan Tu, 2021, J. Chem. Inf. Model..

In silico prediction of chemical respiratory toxicity via machine learning

Weihua Li, Yun Tang, Piaopiao Zhao, 2021 .

3D–QSAR studies of orvinol analogs as κ-opioid agonists

Qiong Xie, Yun Tang, Wei Li, 2006 .

Quantitative and Systems Pharmacology. 1. In Silico Prediction of Drug-Target Interactions of Natural Products Enables New Targeted Cancer Therapy

Chuipu Cai, Feixiong Cheng, Zengrui Wu, 2017, J. Chem. Inf. Model..

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.

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

Ruili Huang, Scott Boyer, Xin Hu, 2020, Environmental health perspectives.

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.

Network pharmacological mechanisms of Vernonia anthelmintica (L.) in the treatment of vitiligo: Isorhamnetin induction of melanogenesis via up-regulation of melanin-biosynthetic genes

Yun Tang, Bo Zhang, Yun Tang, 2017, BMC Systems Biology.

Probing ligand binding modes of human cytochrome P450 2J2 by homology modeling, molecular dynamics simulation, and flexible molecular docking

Weiliang Zhu, Weihua Li, Yun Tang, 2008, Proteins.

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 .

Biomarker-based drug safety assessment in the age of systems pharmacology: from foundational to regulatory science.

Feixiong Cheng, Huixiao Hong, Yun Tang, 2015, Biomarkers in medicine.

Molecular modeling and 3D-QSAR studies of indolomorphinan derivatives as kappa opioid antagonists.

Yun Tang, Zhui-Bai Qiu, Yun Tang, 2006, Bioorganic & medicinal chemistry.

Possible Pathway(s) of Metyrapone Egress from the Active Site of Cytochrome P450 3A4: A Molecular Dynamics Simulation

Weiliang Zhu, Weihua Li, Yun Tang, 2007, Drug Metabolism and Disposition.

Discovery of novel EGFR tyrosine kinase inhibitors by structure-based virtual screening.

Hongli Zhao, Yun Tang, Minbo Lan, 2012, Bioorganic & medicinal chemistry letters.

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.

Structure activity of 3-aryl-1,3-diketo-containing compounds as HIV-1 integrase inhibitors.

Yun Tang, Yves Pommier, Nouri Neamati, 2002, Journal of medicinal chemistry.

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

Yun Tang, Yiping Du, Guixia Liu, 2008 .

Corrigendum to “Molecular modeling and 3D-QSAR studies of indolomorphinan derivatives as kappa opioid antagonists” [Bioorg. Med. Chem. 14 (2006) 601–610]

Yun Tang, Wei Li, Zhuibai Qiu, 2006 .

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.

Molecular Modeling and 3D-QSAR Studies on the Interaction Mechanism of Tripeptidyl Thrombin Inhibitors with Human α-Thrombin†

Yun Tang, Hualiang Jiang, Kaixian Chen, 1997 .

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.

Effect of G40R mutation on the binding of human SRY protein to DNA: A molecular dynamics view

Lennart Nilsson, Yun Tang, Yun Tang, 1999, Proteins.

Molecular modeling of human cytochrome P450 2W1 and its interactions with substrates.

Weihua Li, Yun Tang, Tyuji Hoshino, 2009, Journal of molecular graphics & modelling.

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.

Reduced Catalytic Activity of P450 2A6 Mutants with Coumarin: A Computational Investigation.

Weihua Li, Yun Tang, Hualiang Jiang, 2009, Journal of chemical theory and computation.

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.

Discovery of potent ligands for estrogen receptor beta by structure-based virtual screening.

Weihua Li, Jin Huang, Yun Tang, 2010, Journal of medicinal chemistry.

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.

Molecular docking and 3D-QSAR studies of 2-substituted 1-indanone derivatives as acetylcholinesterase inhibitors

Yun Tang, Guixia Liu, Yun Tang, 2007, Acta Pharmacologica Sinica.

Discovery of new non-steroidal FXR ligands via a virtual screening workflow based on Phase shape and induced fit docking.

Weihua Li, Mingyue Zheng, Yun Tang, 2012, Bioorganic & medicinal chemistry letters.