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Browsing by Author Madurga Díez, Sergio

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Issue DateTitleAuthor(s)
2011A semi-grand canonical Monte Carlo simulation model for ion binding to ionizable surfaces: proton binding of carboxylated latex particles as a case studyMadurga Díez, Sergio; Rey-Castro, Carlos; David, Calin; Pastor, Isabel; Garcés, Josep Lluís; Vilaseca i Font, Eudald; Puy, Jaume; Mas i Pujadas, Francesc
3-Jun-2019Applying discriminant and cluster analysis to separate allergenic from non-allergenic proteinsNaneva, Ludmila; Nedyalkova, Miroslava; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Simeonov, Vasil
1-Jun-2017Boron oxide glasses and nanocomposites: synthetic, structural and statistical approachHristov, Hristo; Nedyalkova, Miroslava; Madurga Díez, Sergio; Simeonov, Vasil
28-May-2019Calculating the partition coefficients of organic solvents in octanol/water and octanol/airNedyalkova, Miroslava; Madurga Díez, Sergio; Tobiszewski, Marek; Simeonov, Vasil
28-Jul-2023Collection of Partition Coefficients in Hexadecyltrimethylammonium Bromide, Sodium Cholate, and Lithium Perfluorooctanesulfonate Micellar Solutions: Experimental Determination and Computational PredictionsSaranjam, Leila; Nedyalkova, Miroslava; Fuguet i Jordà, Elisabet; Simeonov, Vasil; Mas i Pujadas, Francesc; Madurga Díez, Sergio
17-Feb-2021Combinatorial k-means clustering as a machine learning tool applied to diabetes mellitus type 2Nedyalkova, Miroslava; Madurga Díez, Sergio; Simeonov, Vasil
20-Apr-2023Computational Modelling of the pH Effect on Intrinsically Disordered ProteinsPrivat Contreras, Cristian
17-Nov-2023Computational modelling to study medium effect over molecules and biopolymers of interest in biomedicineBarazorda Ccahuana, Haruna Luz
28-Feb-2024Constant-pH Simulations of a Coarse-Grained Model of Polyfunctional Weak Charged BiopolymersNaranjo, Daniel; Blanco Andrés, Pablo M.; Garcés, Josep Lluís; Madurga Díez, Sergio; Mas i Pujadas, Francesc
25-Nov-2020Coupling of binding and conformational equilibria in weak polyelectrolytes. Dynamics and charge regulation of biopolymers in crowded media.Blanco, Pablo M.
2017Dealing with long-range interactions in the determination of polyelectrolyte ionization properties. Extension of the transfer matrix formalism to the full range of ionic strengthsGarcés, Josep Lluís; Madurga Díez, Sergio; Rey-Castro, Carlos; Mas i Pujadas, Francesc
11-Aug-2020Diabetes mellitus type 2: Exploratory data analysis based on clinical readingNedyalkova, Miroslava; Madurga Díez, Sergio; Ballabio, Davide; Robeva, Ralitsa; Romanova, Julia; Kichev, Ilia; Elenkova, Atanaska; Simeonov, Vasil
16-Oct-2019Effect of charge regulation and conformational equilibria in the 2 stretching properties of weak polyelectrolytesBlanco Andrés, Pablo M.; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Garcés, Josep Lluís
11-Nov-2020Effect of pH on the supramolecular structure of helicobacter pylori urease by molecular dynamics simulationsBarazorda-Ccahuana, Haruna L.; Gómez, Badhin; Mas i Pujadas, Francesc; Madurga Díez, Sergio
2007Effect of the surface charge discretization on electric double layers. A Monte Carlo simulation studyMadurga Díez, Sergio; Martín-Molina, Alberto; Vilaseca i Font, Eudald; Mas i Pujadas, Francesc; Quesada-Pérez, Manuel
3-Jan-2025Immunometabolic effect of Nitric oxide on human macrophages challenged with the SARS-CoV2-induced cytokine storm. A fluxomic approachSánchez-García, Sergio; Povo-Retana, Adrián; Marín Martínez, Silvia; Madurga Díez, Sergio; Fariñas, Marco; Aleixandre, Nuria; Castrillo, Antonio; de la Rosa, Juan V.; Alvarez-Lucena, Carlota; Landauro-Vera, Rodrigo; Prieto, Patricia; Cascante i Serratosa, Marta; Boscá, Lisardo
26-Feb-2013Influence of macromolecular crowding on the oxidation of ABTS by hydrogen peroxide catalyzed by HRPPitulice, Laura; Pastor, Isabel; Vilaseca i Font, Eudald; Madurga Díez, Sergio; Isvoran, Adriana; Cascante i Serratosa, Marta; Mas i Pujadas, Francesc
3-May-2017Iron oxide nanoparticles - in vivo/in vitro biomedical applications and in silico studiesNedyalkova, Miroslava; Donkova, Borjana; Romanova, Julia; Tzvetkov, George; Madurga Díez, Sergio; Simeonov, Vasil
2012Molecular dynamics simulation of the spherical electrical double layer of a soft nanoparticle. Effect of the surface and counterion valenceNedyalkova, Miroslava; Madurga Díez, Sergio; Pisov, Stoyan; Pastor, Isabel; Vilaseca i Font, Eudald; Mas i Pujadas, Francesc
Jan-2021Non-monotonic behavior of weak-polyelectrolytes adsorption on a cationic surface: A Monte Carlo simulation studyNarambuena, Claudio F.; Blanco Andrés, Pablo M.; Rodríguez, Adrián; Rodríguez, Diego E.; Madurga Díez, Sergio; Garcés, Josep Lluís; Mas i Pujadas, Francesc
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