6 research outputs found

    Screening anti diabetic drugs from plant extract agains dengue virus protease NS3.

    No full text
    Archivos de los receptores usados en el manuscrito "Tamizaje de compuestos extraíbles de plantas mexicanas como guías de fármacos contra las serina-proteasas de los flavovirus del dengue y Zika."Incluye los resultados de los programas ADFR y gnina.</p

    Files to reproduce rigid docking

    No full text
    <p>This set of files contain the rigid beta-lactoglobulin receptor, all of the natural ligands, the configuration file for Autodock Vina as well as a script to batch execute docking of the ligands.</p

    Pesticides in mol2 format, for docking

    No full text
    Structures ready for docking in mol2 format.<div>Taken from UCSF ZINC12</div

    PBPs (LAO and HisJ) and their dynamics as a function of cis/trans proline isomerization state.

    No full text
    Reduced datasets, scripts and full numerical data for the analysis of the effect of cisPRO/transPRO isomerization effect  over PBP (LAO/HISJ) function

    Datawarrior-format database

    No full text
    Pesticides according to WHO in Datawarrior database format
    corecore