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Network pharmacology-based prediction of the active ingredients and potential targets of Chinese herbal Radix Curcumae formula for application to cardiovascular disease.
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J Ethnopharmacol
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A systematic prediction of multiple drug-target interactions from chemical, genomic, and pharmacological data.
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PLoS One
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2012
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1.27
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3
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A system-level investigation into the mechanisms of Chinese Traditional Medicine: Compound Danshen Formula for cardiovascular disease treatment.
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PLoS One
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2012
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1.20
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4
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Axonal fiber terminations concentrate on gyri.
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Cereb Cortex
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2011
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1.18
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5
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Systems approaches and polypharmacology for drug discovery from herbal medicines: an example using licorice.
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J Ethnopharmacol
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2013
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1.17
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6
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Genome-wide analysis of heat shock transcription factor families in rice and Arabidopsis.
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J Genet Genomics
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2008
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1.13
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7
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A novel chemometric method for the prediction of human oral bioavailability.
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Int J Mol Sci
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2012
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8
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BLogo: a tool for visualization of bias in biological sequences.
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Bioinformatics
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2008
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9
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Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity.
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J Struct Biol
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2012
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1.00
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10
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Systems pharmacology in drug discovery and therapeutic insight for herbal medicines.
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Brief Bioinform
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2013
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11
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Deciphering the combination principles of Traditional Chinese Medicine from a systems pharmacology perspective based on Ma-huang Decoction.
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J Ethnopharmacol
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2013
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12
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MiR-206-mediated dynamic mechanism of the mammalian circadian clock.
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BMC Syst Biol
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2011
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0.95
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13
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A systems biology approach to uncovering pharmacological synergy in herbal medicines with applications to cardiovascular disease.
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Evid Based Complement Alternat Med
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2012
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0.92
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14
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A large-scale association study for nanoparticle C60 uncovers mechanisms of nanotoxicity disrupting the native conformations of DNA/RNA.
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Nucleic Acids Res
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2012
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15
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Structural determination of three different series of compounds as Hsp90 inhibitors using 3D-QSAR modeling, molecular docking and molecular dynamics methods.
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Int J Mol Sci
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2011
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16
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Assessment of estrogenic contamination and biological effects in Lake Taihu.
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Ecotoxicology
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2011
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17
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A systems biology approach to understanding the mechanisms of action of chinese herbs for treatment of cardiovascular disease.
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Int J Mol Sci
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18
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Lack of an effect of atazanavir on steady-state pharmacokinetics of methadone in patients chronically treated for opiate addiction.
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AIDS
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Two TPX2-dependent switches control the activity of Aurora A.
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PLoS One
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Risk assessment on disinfection by-products of drinking water of different water sources and disinfection processes.
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Environ Int
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2006
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21
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Assessment of toxic interactions of heavy metals in multi-component mixtures using sea urchin embryo-larval bioassay.
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Toxicol In Vitro
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22
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Dynamic mechanisms for pre-miRNA binding and export by Exportin-5.
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RNA
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Influence of P-glycoprotein on embryotoxicity of the antifouling biocides to sea urchin (Strongylocentrotus intermedius).
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Ecotoxicology
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2011
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24
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Dynamic communication between androgen and coactivator: mutually induced conformational perturbations in androgen receptor ligand-binding domain.
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Proteins
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2011
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25
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Investigation of binding features: effects on the interaction between CYP2A6 and inhibitors.
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J Comput Chem
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26
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In silico prediction of estrogen receptor subtype binding affinity and selectivity using statistical methods and molecular docking with 2-arylnaphthalenes and 2-arylquinolines.
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Int J Mol Sci
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2010
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27
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Discovery of estrogen receptor modulators: a review of virtual screening and SAR efforts.
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Expert Opin Drug Discov
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Systems pharmacology uncovers Janus functions of botanical drugs: activation of host defense system and inhibition of influenza virus replication.
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Integr Biol (Camb)
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System-level multi-target drug discovery from natural products with applications to cardiovascular diseases.
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Mol Divers
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Distribution of the functional MDR1 C3435T polymorphism in the Han population of China.
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Swiss Med Wkly
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31
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Molecular basis for substrate selectivity of a mono- and diacylglycerol lipase from Malassezia globosa.
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Biochem Biophys Res Commun
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Theoretical study of the mechanism of acetaldehyde hydroxylation by compound I of CYP2E1.
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Macrophage migration inhibitory factor (MIF) in chinese amphioxus as a molecular marker of immune evolution during the transition of invertebrate/vertebrate.
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Dev Comp Immunol
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A classification study of respiratory Syncytial Virus (RSV) inhibitors by variable selection with random forest.
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Int J Mol Sci
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Biochemical properties of recombinant leucine aminopeptidase II from Bacillus stearothermophilus and potential applications in the hydrolysis of Chinese anchovy (Engraulis japonicus) proteins.
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J Agric Food Chem
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Prediction of the deleterious nsSNPs in ABCB transporters.
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FEBS Lett
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Lack of an effect of human immunodeficiency virus coinfection on the pharmacokinetics of entecavir in hepatitis B virus-infected patients.
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Antimicrob Agents Chemother
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38
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Structural determinants of benzodiazepinedione/peptide-based p53-HDM2 inhibitors using 3D-QSAR, docking and molecular dynamics.
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J Mol Model
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39
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Prediction of P2Y12 antagonists using a novel genetic algorithm-support vector machine coupled approach.
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Anal Chim Acta
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40
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Molecular simulation of a series of benzothiazole PI3Kα inhibitors: probing the relationship between structural features, anti-tumor potency and selectivity.
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J Mol Model
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41
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Toxicity evaluation of single and mixed antifouling biocides using the Strongylocentrotus intermedius sea urchin embryo test.
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Environ Toxicol Chem
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42
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Identification of novel potential β-N-acetyl-D-hexosaminidase inhibitors by virtual screening, molecular dynamics simulation and MM-PBSA calculations.
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Int J Mol Sci
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43
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Prediction of PKCθ inhibitory activity using the Random Forest Algorithm.
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Int J Mol Sci
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Electrochemical recognition for carboxylic acids based on multilayer architectures of β-cyclodextrin and methylene blue/reduce-graphene interface on glassy carbon electrodes.
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Analyst
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2013
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45
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Classification of bioaccumulative and non-bioaccumulative chemicals using statistical learning approaches.
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Mol Divers
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A systematic identification of multiple toxin-target interactions based on chemical, genomic and toxicological data.
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Toxicology
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47
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Local and global effects of Mg2+ on Ago and miRNA-target interactions.
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J Mol Model
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48
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Production of extremely pure diacylglycerol from soybean oil by lipase-catalyzed glycerolysis.
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Enzyme Microb Technol
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49
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Mutations in Bacchus reveal a tyramine-dependent nuclear regulator for acute ethanol sensitivity in Drosophila.
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Neuropharmacology
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2012
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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.
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Int J Mol Sci
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Enzymatic synthesis of extremely pure triacylglycerols enriched in conjugated linoleic acids.
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Molecules
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Optimal production and biochemical properties of a lipase from Candida albicans.
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Int J Mol Sci
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53
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Insight into the effects of chiral isomers quinidine and quinine on CYP2D6 inhibition.
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Bioorg Med Chem Lett
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54
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A novel systems pharmacology model for herbal medicine injection: a case using Reduning injection.
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BMC Complement Altern Med
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55
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Enantioselective recognition of mandelic acid based on γ-globulin modified glassy carbon electrode.
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Anal Biochem
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56
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Molecular dynamics and free energy studies on the carboxypeptidases complexed with peptide/small molecular inhibitor: mechanism for drug resistance.
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Insect Biochem Mol Biol
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57
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pH-dependent channel gating in connexin26 hemichannels involves conformational changes in N-terminus.
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Biochim Biophys Acta
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58
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Development of in silico models for pyrazoles and pyrimidine derivatives as cyclin-dependent kinase 2 inhibitors.
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J Mol Graph Model
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Global analysis of dynamic fluorescence anisotropy by a polarized phasor approach.
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J Fluoresc
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Combined 3D-QSAR, molecular docking, and molecular dynamics study on piperazinyl-glutamate-pyridines/pyrimidines as potent P2Y12 antagonists for inhibition of platelet aggregation.
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J Chem Inf Model
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Molecular dynamics simulation of conformational heterogeneity in transportin 1.
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Proteins
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Acute toxicity and synergism of binary mixtures of antifouling biocides with heavy metals to embryos of sea urchin Glyptocidaris crenularis.
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Hum Exp Toxicol
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Biological effects and bioaccumulation of pharmaceutically active compounds in crucian carp caged near the outfall of a sewage treatment plant.
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Environ Sci Process Impacts
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Hg-responsive proteins identified in wheat seedlings using iTRAQ analysis and the role of ABA in Hg stress.
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J Proteome Res
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Biochemical properties and potential applications of recombinant leucine aminopeptidase from Bacillus kaustophilus CCRC 11223.
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Int J Mol Sci
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Probing structural features and binding mode of 3-arylpyrimidin-2,4-diones within housefly γ-aminobutyric acid (GABA) receptor.
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Int J Mol Sci
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2011
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67
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Mechanism of the plant cytochrome P450 for herbicide resistance: a modelling study.
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J Enzyme Inhib Med Chem
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Comparison of laser in situ keratomileusis flaps created by 2 femtosecond lasers.
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Cornea
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Weak-binding molecules are not drugs?-toward a systematic strategy for finding effective weak-binding drugs.
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Islet-derived stem cells from adult rats participate in the repair of islet damage.
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J Mol Histol
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[Dynamic simulation and analysis of ERK signal pathway activated by epidermal growth factor receptor].
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Sheng Wu Yi Xue Gong Cheng Xue Za Zhi
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Development of a solid-phase microextraction fiber coated with poly(methacrylic acid-ethylene glycol dimethacrylate) and its application for the determination of chlorophenols in water coupled with GC.
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J Sep Sci
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73
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The naïve effector cells of collagen type I during acute experimental pancreatitis are acinar cells and not pancreatic stellate cells.
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[Determination of atrazine and its metabolites in human urines using gas chromatography].
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Se Pu
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75
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Electrochemical enantioselective recognition of tryptophane enantiomers based on chiral ligand exchange.
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Colloids Surf B Biointerfaces
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2011
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[Interactive effect of irrigation and nitrogen application on physiological characteristics of flag leaf and grain yield of winter wheat in dry years].
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Ying Yong Sheng Tai Xue Bao
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77
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Substrate-constituted three-liquid-phase system: a green, highly efficient and recoverable platform for interfacial enzymatic reactions.
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Chem Commun (Camb)
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2015
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78
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Multi-scale modeling of cell survival and death mediated by the p53 network: a systems pharmacology framework.
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Mol Biosyst
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2015
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79
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Determination of 16 polycyclic aromatic hydrocarbons in water using fluorinated polyaniline-based solid-phase microextraction coupled with gas chromatography.
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Environ Monit Assess
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B7-H1/PD-1 blockade therapy in urological malignancies: current status and future prospects.
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Tumori
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81
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Synthesis of structured lipids by lipase-catalyzed interesterification of triacetin with camellia oil methyl esters and preliminary evaluation of their plasma lipid-lowering effect in mice.
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Molecules
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82
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A classification study of human β₃-adrenergic receptor agonists using BCUT descriptors.
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Mol Divers
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83
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Molecular dynamics simulation in RNA interference.
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Curr Med Chem
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Structural determinants of imidacloprid-based nicotinic acetylcholine receptor inhibitors identified using 3D-QSAR, docking and molecular dynamics.
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J Mol Model
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A new strategy for chiral recognition of amino acids.
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Chem Commun (Camb)
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Enzymatic synthesis of phytosterol esters catalyzed by Candida rugosa lipase in water-in-[Bmim]PF6 microemulsion.
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Bioprocess Biosyst Eng
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A 3D MOF showing unprecedented solvent-induced single-crystal-to-single-crystal transformation and excellent CO2 adsorption selectivity at room temperature.
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Chem Commun (Camb)
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The application of thionine-graphene nanocomposite in chiral sensing for Tryptophan enantiomers.
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Bioelectrochemistry
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Efficient purification of native recombinant proteins using proteases immobilized on cellulose.
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J Biosci Bioeng
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A two-stage enzymatic process for synthesis of extremely pure high oleic glycerol monooleate.
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Enzyme Microb Technol
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91
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Biochemical and conformational characterization of a leucine aminopeptidase from Geobacillus thermodenitrificans NG80-2.
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World J Microbiol Biotechnol
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Structural requirements of pyrimidine, thienopyridine and ureido thiophene carboxamide-based inhibitors of the checkpoint kinase 1: QSAR, docking, molecular dynamics analysis.
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The application of chiral arginine and multi-walled carbon nanotubes as matrices to monitor hydrogen peroxide.
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Bioelectrochemistry
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