Publications by the researcher in collaboration with Francesc Mas (73)

2024

  1. Constant-pH Simulations of a Coarse-Grained Model of Polyfunctional Weak Charged Biopolymers

    Biophysica, Vol. 4, Núm. 1, pp. 107-127

2023

  1. Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes

    Polymers, Vol. 15, Núm. 12

2022

  1. Adsorption of flexible proteins in the ‘wrong side’ of the isoelectric point: Casein macropeptide as a model system

    Colloids and Surfaces B: Biointerfaces, Vol. 217

2021

  1. Influence of macromolecular crowding on the charge regulation of intrinsically disordered proteins

    Soft Matter, Vol. 17, Núm. 3, pp. 655-669

  2. Non-monotonic behavior of weak-polyelectrolytes adsorption on a cationic surface: A Monte Carlo simulation study

    Polymer, Vol. 212

2019

  1. Effect of Charge Regulation and Conformational Equilibria in the Stretching Properties of Weak Polyelectrolytes

    Macromolecules, Vol. 52, Núm. 21, pp. 8017-8031

  2. Role of charge regulation and fluctuations in the conformational and mechanical properties ofweak flexible polyelectrolytes

    Polymers, Vol. 11, Núm. 12

2018

  1. Coupling of charge regulation and conformational equilibria in linearweak polyelectrolytes: Treatment of long-range interactions via effective short-ranged and pH-dependent interaction parameters

    Polymers, Vol. 10, Núm. 8

  2. Macromolecular diffusion in crowded media beyond the hard-sphere model

    Soft Matter, Vol. 14, Núm. 16, pp. 3105-3114

2017

  1. Brownian dynamics computational model of protein diffusion in crowded media with dextran macromolecules as obstacles

    Entropy, Vol. 19, Núm. 3

  2. Dealing with long-range interactions in the determination of polyelectrolyte ionization properties. Extension of the transfer matrix formalism to the full range of ionic strengths

    Journal of Polymer Science, Part B: Polymer Physics, Vol. 55, Núm. 3, pp. 275-284

  3. Ionization and Conformational Equilibria of Citric Acid: Delocalized Proton Binding in Solution

    Journal of Physical Chemistry A, Vol. 121, Núm. 31, pp. 5894-5906

2014

  1. Monte Carlo simulations of enzymatic reactions in crowded media. Effect of the enzyme-obstacle relative size

    Mathematical Biosciences, Vol. 251, Núm. 1, pp. 72-82

2011

  1. A semi-grand canonical Monte Carlo simulation model for ion binding to ionizable surfaces: Proton binding of carboxylated latex particles as a case study

    Journal of Chemical Physics, Vol. 135, Núm. 18

  2. Diffusion in macromolecular crowded media: Monte Carlo simulation of obstructed diffusion vs. FRAP experiments

    Theoretical Chemistry Accounts, Vol. 128, Núm. 4, pp. 795-805

  3. Effect of crowding by dextrans on the hydrolysis of N-succinyl-l-phenyl- Ala-p-nitroanilide catalyzed by α-chymotrypsin

    Journal of Physical Chemistry B, Vol. 115, Núm. 5, pp. 1115-1121

  4. New insights into diffusion in 3D crowded media by Monte Carlo simulations: Effect of size, mobility and spatial distribution of obstacles

    Physical Chemistry Chemical Physics, Vol. 13, Núm. 16, pp. 7396-7407

2010

  1. Competition effects in cation binding to humic acid: Conditional affinity spectra for fixed total metal concentration conditions

    Geochimica et Cosmochimica Acta, Vol. 74, Núm. 18, pp. 5216-5227

  2. Diffusion of α-chymotrypsin in solution-crowded media. A fluorescence recovery after photobleaching study

    Journal of Physical Chemistry B, Vol. 114, Núm. 11, pp. 4028-4034

  3. Diffusion of α-chymotrypsin in solution-crowded media. A fluorescence recovery after photobleaching study (Journal of Physical Chemistry B (2010) 114 (4028))

    Journal of Physical Chemistry B