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  1. 1
    Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit Solvation Model

    Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit Solvation Model by Cristian Privat, Sergio Madurga, Francesc Mas, Jaime Rubio-Martinez

    Published 2021-09-01
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  2. 2
    On the Use of the Discrete Constant pH Molecular Dynamics to Describe the Conformational Space of Peptides

    On the Use of the Discrete Constant pH Molecular Dynamics to Describe the Conformational Space of Peptides by Cristian Privat, Sergio Madurga, Francesc Mas, Jaime Rubio-Martínez

    Published 2020-12-01
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  3. 3
    Effect of pH on the Supramolecular Structure of <i>Helicobacter pylori</i> Urease by Molecular Dynamics Simulations

    Effect of pH on the Supramolecular Structure of <i>Helicobacter pylori</i> Urease by Molecular Dynamics Simulations by Haruna L. Barazorda-Ccahuana, Badhin Gómez, Francesc Mas, Sergio Madurga

    Published 2020-11-01
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  4. 4
    Unveiling the Effect of Low pH on the SARS-CoV-2 Main Protease by Molecular Dynamics Simulations

    Unveiling the Effect of Low pH on the SARS-CoV-2 Main Protease by Molecular Dynamics Simulations by Haruna Luz Barazorda-Ccahuana, Miroslava Nedyalkova, Francesc Mas, Sergio Madurga

    Published 2021-11-01
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  5. 5
    Constant-pH Simulations of a Coarse-Grained Model of Polyfunctional Weak Charged Biopolymers

    Constant-pH Simulations of a Coarse-Grained Model of Polyfunctional Weak Charged Biopolymers by David Naranjo, Pablo M. Blanco, Josep L. Garcés, Sergio Madurga, Francesc Mas

    Published 2024-02-01
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  6. 6
    Prediction of Partition Coefficients in SDS Micelles by DFT Calculations

    Prediction of Partition Coefficients in SDS Micelles by DFT Calculations by Leila Saranjam, Elisabet Fuguet, Miroslava Nedyalkova, Vasil Simeonov, Francesc Mas, Sergio Madurga

    Published 2021-09-01
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  7. 7
    Collection of Partition Coefficients in Hexadecyltrimethylammonium Bromide, Sodium Cholate, and Lithium Perfluorooctanesulfonate Micellar Solutions: Experimental Determination and Computational Predictions

    Collection of Partition Coefficients in Hexadecyltrimethylammonium Bromide, Sodium Cholate, and Lithium Perfluorooctanesulfonate Micellar Solutions: Experimental Determination and... by Leila Saranjam, Miroslava Nedyalkova, Elisabet Fuguet, Vasil Simeonov, Francesc Mas, Sergio Madurga

    Published 2023-07-01
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  8. 8
    Brownian Dynamics Computational Model of Protein Diffusion in Crowded Media with Dextran Macromolecules as Obstacles

    Brownian Dynamics Computational Model of Protein Diffusion in Crowded Media with Dextran Macromolecules as Obstacles by Pablo M. Blanco, Mireia Via, Josep Lluís Garcés, Sergio Madurga, Francesc Mas

    Published 2017-03-01
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  9. 9
    Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes

    Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes by Pablo M. Blanco, Claudio F. Narambuena, Sergio Madurga, Francesc Mas, Josep L. Garcés

    Published 2023-06-01
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  10. 10
    Immunometabolic actions of trabectedin and lurbinectedin on human macrophages: relevance for their anti-tumor activity

    Immunometabolic actions of trabectedin and lurbinectedin on human macrophages: relevance for their anti-tumor activity by Adrián Povo-Retana, Marco Fariñas, Rodrigo Landauro-Vera, Marina Mojena, Carlota Alvarez-Lucena, Miguel A. Fernández-Moreno, Miguel A. Fernández-Moreno, Antonio Castrillo, Antonio Castrillo, Juan Vladimir de la Rosa Medina, Juan Vladimir de la Rosa Medina, Sergio Sánchez-García, Carles Foguet, Francesc Mas, Silvia Marin, Silvia Marin, Marta Cascante, Marta Cascante, Lisardo Boscá, Lisardo Boscá, Lisardo Boscá

    Published 2023-08-01
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