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S. Madurga · SciRah

Researcher profile · Semantic Scholar

S. Madurga

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S. Madurga — researcher profile on SciRah

h-index: 21
Works: 93
Citations: 2,081

Most-cited papers

Mechanism of action of and resistance to quinolones
A. Fàbrega, S. Madurga, E. Giralt, J. Vila
2008Microbial Biotechnology502 citations Open access
Semantic Scholar
Aβ40 and Aβ42 amyloid fibrils exhibit distinct molecular recycling properties.
L. Sánchez, S. Madurga, T. Pukala, M. Vilaseca +4 more
2011Journal of the American Chemical Society101 citations
Semantic Scholar
Iron oxide nanoparticles - In vivo/in vitro biomedical applications and in silico studies.
M. Nedyalkova, B. Donkova, J. Romanova, G. Tzvetkov +2 more
2017Advances in Colloid and Interface Science76 citations Open access
Semantic Scholar
Effect of crowding by dextrans on the hydrolysis of N-Succinyl-L-phenyl-Ala-p-nitroanilide catalyzed by α-chymotrypsin.
I. Pastor, E. Vilaseca, S. Madurga, J. Garcés +2 more
2011Journal of Physical Chemistry B71 citations Open access
Semantic Scholar
Effect of crowding by Dextrans in enzymatic reactions.
I. Pastor, Laura Pitulice, Cristina Balcells, E. Vilaseca +4 more
2014Biophysical Chemistry70 citations Open access
Semantic Scholar
Mechanism of Binding of Fluoroquinolones to the Quinolone Resistance‐Determining Region of DNA Gyrase: Towards an Understanding of the Molecular Basis of Quinolone Resistance
S. Madurga, J. Sánchez-Céspedes, Ignasi Belda, J. Vila +1 more
2008ChemBioChem62 citations
Semantic Scholar
New insights into diffusion in 3D crowded media by Monte Carlo simulations: effect of size, mobility and spatial distribution of obstacles.
E. Vilaseca, A. Isvoran, S. Madurga, I. Pastor +2 more
2011Physical Chemistry, Chemical Physics - PCCP60 citations Open access
Semantic Scholar
Macromolecular crowding effect upon in vitro enzyme kinetics: mixed activation-diffusion control of the oxidation of NADH by pyruvate catalyzed by lactate dehydrogenase.
Cristina Balcells, I. Pastor, E. Vilaseca, S. Madurga +2 more
2014Journal of Physical Chemistry B59 citations Open access
Semantic Scholar
Relevant Elements of a Maize γ-Zein Domain Involved in Protein Body Biogenesis*
I. Llop-Tous, S. Madurga, E. Giralt, P. Marzábal +2 more
2010Journal of Biological Chemistry58 citations Open access
Semantic Scholar
Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air
M. Nedyalkova, S. Madurga, M. Tobiszewski, V. Simeonov
2019Journal of Chemical Information and Modeling50 citations Open access
Semantic Scholar
ENPDA: an evolutionary structure-based de novo peptide design algorithm
Ignasi Belda, S. Madurga, Xavier Llorà, M. Martinell +4 more
2005J. Comput. Aided Mol. Des.47 citations
Semantic Scholar
Retro‐Enantio N‐Methylated Peptides as β‐Amyloid Aggregation Inhibitors
Dolors Grillo-Bosch, N. Carulla, Montse Cruz, L. Sánchez +4 more
2009ChemMedChem43 citations
Semantic Scholar
Combinatorial K-Means Clustering as a Machine Learning Tool Applied to Diabetes Mellitus Type 2
M. Nedyalkova, S. Madurga, V. Simeonov
2021International Journal of Environmental Research and Public Health42 citations Open access
Semantic Scholar
Diffusion of alpha-chymotrypsin in solution-crowded media. A fluorescence recovery after photobleaching study.
I. Pastor, E. Vilaseca, S. Madurga, J. Garcés +2 more
2010Journal of Physical Chemistry B40 citations
Semantic Scholar
Ammonia recovery from acidogenic fermentation effluents using a gas-permeable membrane contactor.
A. Serra-Toro, S. Vinardell, S. Astals, S. Madurga +4 more
2022Bioresource Technology36 citations Open access
Semantic Scholar
Effect of the surface charge discretization on electric double layers: a Monte Carlo simulation study.
S. Madurga, A. Martín-Molina, E. Vilaseca, F. Mas +1 more
2007Journal of Chemical Physics35 citations Open access
Semantic Scholar
Diffusion in macromolecular crowded media: Monte Carlo simulation of obstructed diffusion vs. FRAP experiments
E. Vilaseca, I. Pastor, A. Isvoran, S. Madurga +2 more
201126 citations
Semantic Scholar
Disruption of the HIV-1 protease dimer with interface peptides: structural studies using NMR spectroscopy combined with [2-(13)C]-Trp selective labeling.
Silvia Frutos, Ricard A. Rodríguez-Mias, S. Madurga, B. Collinet +3 more
2007Biopolymers26 citations Open access
Semantic Scholar
Absence of a stable secondary structure is not a limitation for photoswitchable inhibitors of β-arrestin/β-Adaptin 2 protein-protein interaction.
Andrés Martín-Quirós, Laura Nevola, Kay Eckelt, S. Madurga +2 more
2015Chemistry and Biology25 citations Open access
Semantic Scholar
Problem-Based Learning in Graduate and Undergraduate Chemistry Courses: Face-to-Face and Online Experiences
Anna M. Costa, N. Escaja, C. Fité, Miguel González +2 more
2023Journal of Chemical Education22 citations Open access
Semantic Scholar
Effect of Charge Regulation and Conformational Equilibria in the Stretching Properties of Weak Polyelectrolytes
Pablo M. Blanco, S. Madurga, F. Mas, J. Garcés
2019Macromolecules22 citations Open access
Semantic Scholar
Role of Charge Regulation and Fluctuations in the Conformational and Mechanical Properties of Weak Flexible Polyelectrolytes
Pablo M. Blanco, S. Madurga, C. Narambuena, F. Mas +1 more
2019Polymers21 citations Open access
Semantic Scholar
Monte Carlo simulations of enzymatic reactions in crowded media. Effect of the enzyme-obstacle relative size.
Laura Pitulice, E. Vilaseca, I. Pastor, S. Madurga +3 more
2014Mathematical Biosciences21 citations Open access
Semantic Scholar
Hydrogen/deuterium exchange-protected oligomers populated during Aβ fibril formation correlate with neuronal cell death.
Bernat Serra-Vidal, Lluís Pujadas, D. Rossi, E. Soriano +2 more
2014ACS Chemical Biology21 citations
Semantic Scholar
Molecular dynamics simulation of the spherical electrical double layer of a soft nanoparticle: effect of the surface charge and counterion valence.
M. Nedyalkova, S. Madurga, S. Pisov, I. Pastor +2 more
2012Journal of Chemical Physics21 citations Open access
Semantic Scholar
Unusual Aspects of Charge Regulation in Flexible Weak Polyelectrolytes
Pablo M. Blanco, C. Narambuena, S. Madurga, F. Mas +1 more
2023Polymers20 citations Open access
Semantic Scholar
Effect of pH on the Supramolecular Structure of Helicobacter pylori Urease by Molecular Dynamics Simulations
H. Barazorda-Ccahuana, B. Gómez, F. Mas, S. Madurga
2020Polymers20 citations Open access
Semantic Scholar
A new side opening on prolyl oligopeptidase revealed by electron microscopy
T. Tarragó, J. Martín-Benito, E. Sabidó, Birgit Claasen +4 more
2009FEBS Letters20 citations
Semantic Scholar
Model-independent link between the macroscopic and microscopic descriptions of multidentate macromolecular binding: relationship between stepwise, intrinsic, and microscopic equilibrium constants.
Josep Lluís Garcés, C. Rey-Castro, Calin David, S. Madurga +3 more
2009Journal of Physical Chemistry B20 citations
Semantic Scholar
Coupling of Charge Regulation and Conformational Equilibria in Linear Weak Polyelectrolytes: Treatment of Long-Range Interactions via Effective Short-Ranged and pH-Dependent Interaction Parameters
Pablo M. Blanco, S. Madurga, F. Mas, J. Garcés
2018Polymers19 citations Open access
Semantic Scholar
Boron Oxide Glasses and Nanocomposites: Synthetic, Structural and Statistical Approach
H. Hristov, M. Nedyalkova, S. Madurga, V. Simeonov
201719 citations Open access
Semantic Scholar
Development and Characterization of Peptidic Fusion Inhibitors Derived from HIV‐1 gp41 with Partial D‐Amino Acid Substitutions
Fabrice Gaston, Giovana C. Granados, S. Madurga, F. Rabanal +3 more
2009ChemMedChem19 citations
Semantic Scholar
Explicit Treatment of Water Molecules in Protein-Ligand Docking
Óscar Villacañas, S. Madurga, E. Giralt, Ignasi Belda
200919 citations
Semantic Scholar
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
J. Garcés, S. Madurga, C. Rey-Castro, F. Mas
201718 citations Open access
Semantic Scholar
Ionization and Conformational Equilibria of Citric Acid: Delocalized Proton Binding in Solution.
S. Madurga, M. Nedyalkova, F. Mas, J. Garcés
2017Journal of Physical Chemistry A18 citations Open access
Semantic Scholar
Brownian Dynamics Computational Model of Protein Diffusion in Crowded Media with Dextran Macromolecules as Obstacles
Pablo M. Blanco, Mireia Via, J. Garcés, S. Madurga +1 more
2017Entropy18 citations Open access
Semantic Scholar
Coupling of conformational and ionization equilibria in linear poly(ethylenimine): a study based on the site binding/rotational isomeric state (SBRIS) model.
J. Garcés, S. Madurga, M. Borkovec
2014Physical Chemistry, Chemical Physics - PCCP17 citations Open access
Semantic Scholar
Evolutionary computation and multimodal search: A good combination to tackle molecular diversity in the field of peptide design
Ignasi Belda, S. Madurga, T. Tarragó, Xavier Llorà +1 more
2007Molecular diversity17 citations
Semantic Scholar
A semi-grand canonical Monte Carlo simulation model for ion binding to ionizable surfaces: proton binding of carboxylated latex particles as a case study.
S. Madurga, C. Rey-Castro, I. Pastor, E. Vilaseca +4 more
2011Journal of Chemical Physics16 citations Open access
Semantic Scholar
Ion binding to polyelectrolytes: Monte Carlo simulations versus classical mean field theories
S. Madurga, J. Garcés, E. Companys, C. Rey-Castro +5 more
200916 citations
Semantic Scholar
Influence of macromolecular crowding on the charge regulation of intrinsically disordered proteins.
Pablo M. Blanco, S. Madurga, J. Garcés, F. Mas +1 more
2020Soft Matter15 citations Open access
Semantic Scholar
Macromolecular diffusion in crowded media beyond the hard-sphere model.
Pablo M. Blanco, J. Garcés, S. Madurga, F. Mas
2018Soft Matter14 citations Open access
Semantic Scholar
Inhibition Ability of Natural Compounds on Receptor-Binding Domain of SARS-CoV2: An In Silico Approach
M. Nedyalkova, M. Vasighi, Subrahmanyam Sappati, Anmol Kumar +2 more
2021Pharmaceuticals13 citations Open access
Semantic Scholar
Pre-selection and assessment of green organic solvents by clustering chemometric tools.
M. Tobiszewski, M. Nedyalkova, S. Madurga, F. Pena-Pereira +2 more
2018Ecotoxicology and Environmental Safety13 citations Open access
Semantic Scholar
Conformational analysis of a potent SSTR3‐selective somatostatin analogue by NMR in water solution
M. Gairí, P. Saiz, S. Madurga, Xavier Roig +5 more
2006Journal of Peptide Science13 citations
Semantic Scholar
Adsorption of flexible proteins in the 'wrong side' of the isoelectric point: Casein macropeptide as a model system.
Pablo M. Blanco, Micaela M. Achetoni, J. Garcés, S. Madurga +3 more
2022Colloids and Surfaces B: Biointerfaces12 citations
Semantic Scholar
Unveiling the Effect of Low pH on the SARS-CoV-2 Main Protease by Molecular Dynamics Simulations
H. Barazorda-Ccahuana, M. Nedyalkova, F. Mas, S. Madurga
2021Polymers12 citations Open access
Semantic Scholar
Ammonia Nitrogen Recovery from Pig Slurry Using a Novel Hydrophobic/Hydrophilic Selective Membrane
A. Serra-Toro, S. Astals, S. Madurga, J. Mata-Álvarez +2 more
2022Social Science Research Network10 citations Open access
Semantic Scholar
Design of enhanced agonists through the use of a new virtual screening method: Application to peptides that bind class I major histocompatibility complex (MHC) molecules
S. Madurga, Ignasi Belda, Xavier Llorà, E. Giralt
2005Protein Science10 citations Open access
Semantic Scholar
Solvent Effect on the Conformational Equilibrium of 1,2-Dichloroethane in Water. The Role of Solute Polarization
S. Madurga, E. Vilaseca
200410 citations
Semantic Scholar

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