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    • Juan Jose Nogueira

    10 results in Authors: Juan Jose Nogueira

    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    The Permeation Mechanism of Cisplatin through a Dioleoylphosphocholine Bilayer

    , Authors: Lorena Ruano, Gustavo Cárdenas, Juan Jose Nogueira
    416
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Binding of Azobenzene and p-Diaminoazobenzene to the Human Voltage-Gated Sodium Channel NaV1.4

    , Authors: Vito F. Palmisano, Carlos Gómez-Rodellar, Hannah Pollak, Gustavo Cárdenas, Ben Corry, Shirin Faraji, Juan Jose Nogueira
    397
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    MoBioTools: A Toolkit to Setup QM/MM Calculations

    , Authors: Gustavo Cárdenas, Jesús Lucia-Tamudo, Henar Mateo-delaFuente, Vito F. Palmisano, Nuria Anguita-Ortiz, Lorena Ruano, Álvaro Pérez-Barcia, Sergio Díaz-Tendero, Marcos Mandado, Juan Jose Nogueira
    530
    Downloads
    1
    Citations
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Intramolecular and Intermolecular Hole Delocalization Rules the Reducer Character of Isolated Nucleobases and Homogeneous Single-Stranded DNA

    , Authors: Jesús Lucia-Tamudo, Sergio Díaz-Tendero, Juan Jose Nogueira
    53
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    An Efficient Multilayer Approach to Model DNA-Based Nano-Biosensors

    , Authors: Jesús Lucia-Tamudo, Juan Jose Nogueira, Sergio Díaz-Tendero
    80
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Cosolvent and Dynamic Effects in Binding Pocket Search by Docking Simulations

    , Authors: P. Bernát Szabó, Francesc Sabanés Zariquiey, Juan José Nogueira
    214
    Downloads
    Category: Biological and Medicinal Chemistry
    ,
    Review
    , Title:

    Light-Induced Control of Voltage Gated Ion Channels

    , Authors: Vito F. Palmisano, Nuria Anguita-Ortiz, Shirin Faraji, Juan Jose Nogueira
    299
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Effect of Stacking Interactions on Charge Transfer States in Photoswitches Interacting with Ion Channels

    , Authors: Vito Federico Palmisano, Shirin Faraji, Juan Jose Nogueira
    98
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    An Algorithm to Correct for the CASSCF Active Space in Multiscale QM/MM Calculations Based on Geometry Ensembles

    , Authors: Gustavo Cárdenas, Juan Jose Nogueira
    478
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Characterization of the Binding Poses of Classical and Photoswitchable Psychedelics Interacting with 5-HT2AR

    , Authors: Vito Palmisano, Claudio Agnorelli, David Erritzoe, Andrea Fagiolini, Shirin Faraji, Juan Jose Nogueira
    181
    Downloads