Computer Modeling

Daniel J.V.A. dos Santos and coworkers

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    Archives

    Recent Posts

    • Combining 1,3‐Ditriazolylbenzene and Quinoline to Discover a New G‐Quadruplex‐Interactive Small Molecule Active against Cancer Stem‐Like Cells
    • Please notice
    • Terpenoids from Euphorbia pedroi as Multidrug-Resistance Reversers
    • Optimizing the flavanone core toward new selective nitrogen-containing modulators of ABC transporters
    • Discovery of a small-molecule protein kinase Cδ-selective activator with promising application in colon cancer therapy
    • Structure-function relationships in ABCG2: insights from molecular dynamics simulations and molecular docking studies
    • About P-glycoprotein: a new drugable domain is emerging from structural data
    • Probing the Azaaurone Scaffold against the Hepatic and Erythrocytic Stages of Malaria Parasites
    • Optimizing the macrocyclic diterpenic core toward the reversal of multidrug resistance in cancer
    • Do Drugs Have Access to the P-Glycoprotein Drug-Binding Pocket through Gates?
    • Do adsorbed drugs onto P-glycoprotein influence its efflux capability?
    • Molecular Dynamics Study of the Gold/Ionic Liquids Interface
    • P-glycoprotein and membrane roles in multidrug resistance
    • Effect of replacing [NTf2] by [PF6] anion on the [BMIm][NTf2] ionic liquid confined by gold
    • Indolo[3,2-c]quinoline G-Quadruplex Stabilizers: a Structural Analysis of Binding to the Human Telomeric G-Quadruplex

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    News

    • Special collection featuring cancer research
      13/02/2020
    • Welcoming Michael González-Durruthy to the group
      15/07/2019
    • Welcoming Bruno Gonçalves to the group
      01/03/2019
    • Human Pgp homology structure
      13/02/2019
    • BioISI research seminar
      08/02/2019

    Recent Posts

    • Combining 1,3‐Ditriazolylbenzene and Quinoline to Discover a New G‐Quadruplex‐Interactive Small Molecule Active against Cancer Stem‐Like Cells
    • Please notice
    • Terpenoids from Euphorbia pedroi as Multidrug-Resistance Reversers
    • Optimizing the flavanone core toward new selective nitrogen-containing modulators of ABC transporters
    • Discovery of a small-molecule protein kinase Cδ-selective activator with promising application in colon cancer therapy

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