Browsing by Author Madurga Díez, Sergio
Showing results 33 to 50 of 50
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| Issue Date | Title | Author(s) |
|---|---|---|
| 17-Apr-2014 | Macromolecular crowding effect upon in vitro enzyme kinetics: mixed activation-diffusion control of the oxidation of NADH by pyruvate catalyzed by lactate dehydrogenase | Balcells Nadal, Cristina; Pastor, Isabel; Vilaseca i Font, Eudald; Madurga Díez, Sergio; Cascante i Serratosa, Marta; Mas i Pujadas, Francesc |
| Jul-2015 | Macromolecular crowding upon in-vivo-like enzyme-kinetics: effect of enzyme-obstacle size ratio | Balcells Nadal, Cristina; Pastor, Isabel; Pitulice, Laura; Hernández, Claudia; Via Nadal, Mireia; Garcés, Josep Lluís; Madurga Díez, Sergio; Vilaseca i Font, Eudald; Isvoran, Adriana; Cascante i Serratosa, Marta; Mas i Pujadas, Francesc |
| 28-Apr-2018 | Macromolecular diffusion in crowded media beyond the hard-sphere model | Blanco Andrés, Pablo M.; Garcés, Josep Lluís; Madurga Díez, Sergio; Mas i Pujadas, Francesc |
| 2012 | Molecular dynamics simulation of the spherical electrical double layer of a soft nanoparticle. Effect of the surface and counterion valence | Nedyalkova, Miroslava; Madurga Díez, Sergio; Pisov, Stoyan; Pastor, Isabel; Vilaseca i Font, Eudald; Mas i Pujadas, Francesc |
| 16-Jul-2022 | Molecular dynamics simulations of an alfa-synuclein NAC domain fragment with a ff14IDPSFF IDP-specific force field suggest beta-sheet intermediate states of fibrillation | Privat, Cristian; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Rubio Martínez, Jaime |
| 2014 | Monte Carlo simulations of enzymatic reactions in crowded media. Effect of the enzyme-obstacle relative size | Pitulice, Laura; Vilaseca i Font, Eudald; Pastor, Isabel; Madurga Díez, Sergio; Garcés, Josep Lluís; Isvoran, Adriana; Mas i Pujadas, Francesc |
| 26-Aug-2020 | Multivariate analysis for the classification of copper lead and copper zinc glasses | Dimitrov, Dimitar; Nedyalkova, Miroslava; Madurga Díez, Sergio; Naneva, Ludmila; Simeonov, Vasil |
| 2011 | New insights into diffusion in 3D crowded media by Monte Carlo simulations: Effect of size, mobility and spatial distribution of obstacles | Vilaseca i Font, Eudald; Isvoran, Adriana; Madurga Díez, Sergio; Pastor, Isabel; Garcés, Josep Lluís; Mas i Pujadas, Francesc |
| Jan-2021 | Non-monotonic behavior of weak-polyelectrolytes adsorption on a cationic surface: A Monte Carlo simulation study | Narambuena, Claudio F.; Blanco Andrés, Pablo M.; Rodríguez, Adrián; Rodríguez, Diego E.; Madurga Díez, Sergio; Garcés, Josep Lluís; Mas i Pujadas, Francesc |
| Jan-2021 | On the use of the discrete constant pH molecular dynamics to describe the conformational space of peptides | Privat, Cristian; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Rubio Martínez, Jaime |
| 1-Jan-2018 | Pre-selection and assessment of green organic solvents by clustering chemometric tools | Tobiszewski, Marek; Nedyalkova, Miroslava; Madurga Díez, Sergio; Pena-Pereira, Francisco; Namieśnik, Jacek; Simeonov, Vasil |
| 30-Oct-2023 | Prediction of partition coefficients for systems of micelles using DFT | Saranjam, Leila |
| 19-Sep-2021 | Prediction of Partition Coefficients in SDS Micelles by DFT Calculations | Saranjam, Leila; Fuguet i Jordà, Elisabet; Nedyalkova, Miroslava; Simeonov, Vasil; Mas i Pujadas, Francesc; Madurga Díez, Sergio |
| 29-Nov-2019 | Role of charge regulation and fluctuations in the conformational and mechanical properties of weak flexible polyelectrolytes | Blanco Andrés, Pablo M.; Madurga Díez, Sergio; Narambuena, Claudio F.; Mas i Pujadas, Francesc; Garcés, Josep Lluís |
| 28-Sep-2021 | Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit Solvation | Privat, Cristian; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Rubio Martínez, Jaime |
| 14-Jun-2023 | Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes | Blanco, Pablo M.; Narambuena, Claudio F.; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Garcés, Josep Lluís |
| 5-Nov-2021 | Unveiling the Effect of Low pH on the SARS-CoV-2 Main Protease by Molecular Dynamics Simulations | Barazorda-Ccahuana, Haruna L.; Nedyalkova, Miroslava; Mas i Pujadas, Francesc; Madurga Díez, Sergio |
| 15-Apr-2020 | Vibrational Analysis of Manganese(II) Oxalates Hydrates: An In Silico Statistical Approach | Barazorda-Ccahuana, Haruna L.; Nedyalkova, Miroslava; Kichev, Ilia; Madurga Díez, Sergio; Donkova, Borjana; Simeonov, Vasil |