Yonghua Wang

发表

A Systematic Prediction of Multiple Drug-Target Interactions from Chemical, Genomic, and Pharmacological Data

Hua Yu, Jianxin Chen, Xue Xu, 2012, PloS one.

Molecular dynamics simulation in RNA interference.

Yonghua Wang, Xia Wang, Lei Zheng, 2014, Current medicinal chemistry.

Dynamic mechanisms for pre-miRNA binding and export by Exportin-5.

Yan Li, Zhengtao Xiao, Yonghua Wang, 2011, RNA.

Insights on Structural Characteristics and Ligand Binding Mechanisms of CDK2

Yan Li, Yonghua Wang, Yan Li, 2015, International journal of molecular sciences.

Modeling K(m) values using electrotopological state: substrates for cytochrome P450 3A4-mediated metabolism.

Yan Li, Yonghua Wang, Yan Li, 2005, Bioorganic & medicinal chemistry letters.

A Novel Chemometric Method for the Prediction of Human Oral Bioavailability

Hua Yu, Xue Xu, Yonghua Wang, 2012, International journal of molecular sciences.

Network pharmacology-based prediction of the active ingredients and potential targets of Chinese herbal Radix Curcumae formula for application to cardiovascular disease.

Xue Xu, Yonghua Wang, Xia Wang, 2013, Journal of ethnopharmacology.

Systems Pharmacology Dissection of the Anti-Inflammatory Mechanism for the Medicinal Herb Folium Eriobotryae

Yonghua Wang, Yan Li, Yinfeng Yang, 2015, International journal of molecular sciences.

Assessment of toxic interactions of heavy metals in multi-component mixtures using sea urchin embryo-larval bioassay.

Xue Xu, Yonghua Wang, Yan Li, 2011, Toxicology in vitro : an international journal published in association with BIBRA.

Acute toxicity and synergism of binary mixtures of antifouling biocides with heavy metals to embryos of sea urchin Glyptocidaris crenularis.

Xue Xu, Yonghua Wang, Xia Wang, 2011, Human & experimental toxicology.

A Systems-Pharmacology Analysis of Herbal Medicines Used in Health Improvement Treatment: Predicting Potential New Drugs and Targets

Yonghua Wang, Yan Li, Ling Yang, 2013, Evidence-based complementary and alternative medicine : eCAM.

Prediction of P2Y12 antagonists using a novel genetic algorithm-support vector machine coupled approach.

Yan Li, Ming Hao, Yonghua Wang, 2011, Analytica chimica acta.

Prediction of the deleterious nsSNPs in ABCB transporters

Yonghua Wang, Yan Li, Ling Yang, 2006, FEBS letters.

Isolation, biological evaluation and 3D-QSAR studies of insecticidal/narcotic sesquiterpene polyol esters

Yonghua Wang, Z. Ji, Shaopeng Wei, 2011, Journal of molecular modeling.

Prediction of binding affinity for estrogen receptorα modulators using statistical learning approaches

Yan Li, Yaqing Chang, Yuan Wang, 2008, Molecular Diversity.

Prediction of PKCθ Inhibitory Activity Using the Random Forest Algorithm

Yan Li, Ming Hao, Yonghua Wang, 2010, International journal of molecular sciences.

Structural requirements of pyrimidine, thienopyridine and ureido thiophene carboxamide-based inhibitors of the checkpoint kinase 1: QSAR, docking, molecular dynamics analysis

Yonghua Wang, Jinan Wang, Yan Li, 2012, Journal of Molecular Modeling.

Base- and Structure-Dependent DNA Dinucleotide–Carbon Nanotube Interactions: Molecular Dynamics Simulations and Thermodynamic Analysis

Yonghua Wang, Hong Zhang, Xia Wang, 2011 .

Systems pharmacology strategies for drug discovery and combination with applications to cardiovascular diseases.

Wei Zhou, Wei Wang, Bohui Li, 2014, Journal of ethnopharmacology.

Identification of Novel Potential β-N-Acetyl-D-Hexosaminidase Inhibitors by Virtual Screening, Molecular Dynamics Simulation and MM-PBSA Calculations

Yonghua Wang, Jinan Wang, Guohui Li, 2012, International journal of molecular sciences.

Investigation on Quantitative Structure Activity Relationships and Pharmacophore Modeling of a Series of mGluR2 Antagonists

Yonghua Wang, Yan Li, Shuwei Zhang, 2011, International journal of molecular sciences.

Molecular simulation of a series of benzothiazole PI3Kα inhibitors: probing the relationship between structural features, anti-tumor potency and selectivity

Yonghua Wang, Jinan Wang, Zhengtao Xiao, 2012, Journal of Molecular Modeling.

A 3-D QSAR Study of Catechol-O-Methyltransferase Inhibitors Using CoMFA and CoMSIA

Yonghua Wang, Yan Li, Ling Yang, 2008 .

MDR1 gene polymorphisms and clinical relevance.

Yonghua Wang, Yan Li, Ling Yang, 2006, Yi chuan xue bao = Acta genetica Sinica.

Local and global effects of Mg2+ on Ago and miRNA-target interactions

Yonghua Wang, Zhi Ma, Yan Li, 2012, Journal of Molecular Modeling.

Understanding the Aquatic Toxicity of Pesticide: Structure‐Activity Relationship and Molecular Descriptors to Distinguish the Ratings of Toxicity

Yonghua Wang, Yan Li, Gaoxue Wang, 2009 .

Dynamic communication between androgen and coactivator: Mutually induced conformational perturbations in androgen receptor ligand‐binding domain

Xue Xu, Yonghua Wang, Xia Wang, 2011, Proteins.

Probing the structural requirements of A-type Aurora kinase inhibitors using 3D-QSAR and molecular docking analysis

Yonghua Wang, Xia Wang, Yan Li, 2012, Journal of Molecular Modeling.

In silico modeling of toxicity of organic chemicals

Yonghua Wang, Xia Wang, Wei Zhou, 2010, 2010 3rd International Congress on Image and Signal Processing.

Molecular dynamics simulation of conformational heterogeneity in transportin 1

Xue Xu, Yonghua Wang, Xia Wang, 2012, Proteins.

Computational Study Exploring the Interaction Mechanism of Benzimidazole Derivatives as Potent Cattle Bovine Viral Diarrhea Virus Inhibitors.

Yonghua Wang, Yan Li, Yinfeng Yang, 2016, Journal of agricultural and food chemistry.

Photocatalytic oxidation of methyl orange by natural V-bearing rutile under visible light

Yonghua Wang, Kin-hang Wong, Anhuai Lu, 2007 .

Combined 3D-QSAR, Molecular Docking and Molecular Dynamics Study on Derivatives of Peptide Epoxyketone and Tyropeptin-Boronic Acid as Inhibitors Against the β5 Subunit of Human 20S Proteasome

Yonghua Wang, Hong Zhang, Xia Wang, 2011, International journal of molecular sciences.

A Systems Biology Approach to Uncovering Pharmacological Synergy in Herbal Medicines with Applications to Cardiovascular Disease

Xue Xu, Yan Li, Weiyang Tao, 2012, Evidence-based complementary and alternative medicine : eCAM.

Mechanism of MicroRNA-Target Interaction: Molecular Dynamics Simulations and Thermodynamics Analysis

Wei Yang, Zhi Ma, Yan Li, 2010, PLoS Comput. Biol..

A System-Level Investigation into the Mechanisms of Chinese Traditional Medicine: Compound Danshen Formula for Cardiovascular Disease Treatment

Xue Xu, Hongjun Yang, Haiyu Xu, 2012, PloS one.

An in silico approach for screening flavonoids as P-glycoprotein inhibitors based on a Bayesian-regularized neural network

Ling Yang, Yan Li, Yong-Hua Wang, 2005, J. Comput. Aided Mol. Des..

TCMSP: a database of systems pharmacology for drug discovery from herbal medicines

Wei Zhou, Peng Li, Ling Yang, 2014, Journal of Cheminformatics.

RSC_IB_C2IB20204B 1..21

Xue Xu, Xiuxiu Li, Yonghua Wang, 2013 .

Mechanism of the plant cytochrome P450 for herbicide resistance: a modelling study

Yan Li, Huibin Yang, Mengmeng Liu, 2013, Journal of enzyme inhibition and medicinal chemistry.

Insight into the effects of chiral isomers quinidine and quinine on CYP2D6 inhibition.

Yan Li, Yadong Chen, Chunzhi Ai, 2009, Bioorganic & medicinal chemistry letters.

A systems pharmacology approach to investigate the mechanisms of action of Semen Strychni and Tripterygium wilfordii Hook F for treatment of rheumatoid arthritis.

Yonghua Wang, Yan Li, Yinfeng Yang, 2015, Journal of ethnopharmacology.

Systems pharmacology in drug discovery and therapeutic insight for herbal medicines

Chao Huang, Ling Yang, Yan Li, 2014, Briefings Bioinform..

Systems Pharmacology Dissection of Multi-Scale Mechanisms of Action for Herbal Medicines in Stroke Treatment and Prevention

Xuetong Chen, Yan Li, Yonghua Wang, 2014, PloS one.

A systematic identification of multiple toxin-target interactions based on chemical, genomic and toxicological data.

Yan Li, Wei Zhou, Chao Huang, 2013, Toxicology.

Two TPX2-Dependent Switches Control the Activity of Aurora A

Yonghua Wang, Xia Wang, Xue Xu, 2011, PloS one.

Development of in silico models for pyrazoles and pyrimidine derivatives as cyclin-dependent kinase 2 inhibitors.

Fangfang Wang, Zhengtao Xiao, Yonghua Wang, 2011, Journal of molecular graphics & modelling.

Structural determinants of benzodiazepinedione/peptide-based p53-HDM2 inhibitors using 3D-QSAR, docking and molecular dynamics

Yonghua Wang, Xia Wang, Yan Li, 2011, Journal of Molecular Modeling.

Comparison of steroid substrates and inhibitors of P-glycoprotein by 3D-QSAR analysis

Yan Li, Yonghua Wang, Yan Li, 2005 .

Classification of bioaccumulative and non-bioaccumulative chemicals using statistical learning approaches

Jun Ding, Yan Li, Xiuli Sun, 2008, Molecular Diversity.

Multidrug resistance protein P-glycoprotein does not recognize nanoparticle C60: experiment and modeling

Xue Xu, Yonghua Wang, H. Zou, 2012 .

Multidrug resistance protein P-glycoprotein does not recognize nanoparticle C 60 : experiment and modeling †

Xue Xu, Yonghua Wang, H. Zou, 2012 .

Impact of Molecular Hydrophobic Field on Passive Diffusion, P–Glycoprotein Active Efflux, and P–Glycoprotein Modulation of Steroids

Yonghua Wang, Yan Li, Shuwei Zhang, 2006 .

Toward a system-level understanding of microRNA pathway via mathematical modeling

Xia Wang, Yan Li, Xue Xu, 2010, Biosyst..

In Silico Prediction of Estrogen Receptor Subtype Binding Affinity and Selectivity Using Statistical Methods and Molecular Docking with 2-Arylnaphthalenes and 2-Arylquinolines

Yan Li, Chunzhi Ai, Yonghua Wang, 2010, International journal of molecular sciences.

pH-dependent channel gating in connexin26 hemichannels involves conformational changes in N-terminus.

Xue Xu, Yonghua Wang, Xia Wang, 2012, Biochimica et biophysica acta.

An In Silico Method for Screening Nicotine Derivatives as Cytochrome P450 2A6 Selective Inhibitors Based on Kernel Partial Least Squares

Bin Wang, Yan Li, Bin Wang, 2007, International Journal of Molecular Sciences.

BTG2 and SerpinB5, a novel gene pair to evaluate the prognosis of lung adenocarcinoma

Yonghua Wang, Yan Li, Yinfeng Yang, 2023, Frontiers in Immunology.

MiR-206-mediated dynamic mechanism of the mammalian circadian clock

Xia Wang, Wei Zhou, Yan Li, 2011, BMC Systems Biology.

Combined 3D-QSAR, Molecular Docking, and Molecular Dynamics Study on Piperazinyl-Glutamate-Pyridines/Pyrimidines as Potent P2Y12 Antagonists for Inhibition of Platelet Aggregation

Ming Hao, Ling Yang, Guohui Li, 2011, J. Chem. Inf. Model..

Investigation of binding features: Effects on the interaction between CYP2A6 and inhibitors

Wei Li, Ling Yang, Yan Li, 2010, J. Comput. Chem..

Structural determinants of imidacloprid-based nicotinic acetylcholine receptor inhibitors identified using 3D-QSAR, docking and molecular dynamics

Yonghua Wang, Hong Zhang, Zhengtao Xiao, 2012, Journal of Molecular Modeling.

Classification of Substrates and Inhibitors of P-Glycoprotein Using Unsupervised Machine Learning Approach

Ling Yang, Yan Li, Yong-Hua Wang, 2005, J. Chem. Inf. Model..

A large-scale association study for nanoparticle C60 uncovers mechanisms of nanotoxicity disrupting the native conformations of DNA/RNA

Yan Li, Yonghua Wang, Xia Wang, 2012, Nucleic acids research.

A classification study of human β3-adrenergic receptor agonists using BCUT descriptors

Yan Li, Ming Hao, Yonghua Wang, 2011, Molecular Diversity.

Structural Determination of Three Different Series of Compounds as Hsp90 Inhibitors Using 3D-QSAR Modeling, Molecular Docking and Molecular Dynamics Methods

Yonghua Wang, Xia Wang, Zhi Ma, 2011, International journal of molecular sciences.

Structure Requirements for 4-Aryl-4H-Chromenes as Apoptosis Inducers Using 3D QSAR Methods and Docking Studies

Yonghua Wang, Guohui Li, Yan Li, 2012 .

A Classification Study of Respiratory Syncytial Virus (RSV) Inhibitors by Variable Selection with Random Forest

Yan Li, Ming Hao, Yonghua Wang, 2011, International journal of molecular sciences.

Toxicity evaluation of single and mixed antifouling biocides using the Strongylocentrotus intermedius sea urchin embryo test

Yonghua Wang, Yan Li, Honghui Huang, 2011, Environmental toxicology and chemistry.

Distribution of the functional MDR1 C3435T polymorphism in the Han population of China.

Yonghua Wang, Yan Li, Ling Yang, 2006, Swiss medical weekly.

Stochastic simulations of the cytochrome P450 catalytic cycle.

Yan Li, Bin Wang, Yonghua Wang, 2007, The journal of physical chemistry. B.

Investigations into the analysis and modeling of the cytochrome P450 cycle.

Yan Li, Yonghua Wang, Yan Li, 2006, The journal of physical chemistry. B.

Discovery of estrogen receptor modulators: a review of virtual screening and SAR efforts

Wei Yang, Yan Li, Yonghua Wang, 2010, Expert opinion on drug discovery.

Insight into the binding mode and the structural features of the pyrimidine derivatives as human A2A adenosine receptor antagonists

Xia Wang, Ling Yang, Guohui Li, 2014, Biosyst..

Dynamic Model and Regulatory Mechanism of Integrated ERK Signal Pathway Activated by Epidermal Growth Factor

Hua Fang, Yan Li, Yonghua Wang, 2008, 2008 Fourth International Conference on Natural Computation.

In silico Prediction of Androgenic and Nonandrogenic Compounds Using Random Forest

Yan Li, Jun Ding, Yuan Wang, 2009 .