Lista de obras - Sergio Madurga - Dominio Público Uruguay

A new side opening on prolyl oligopeptidase revealed by electron microscopy.

artículo científico publicado en 2009

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

scientific article published on 01 November 2011

Absence of a stable secondary structure is not a limitation for photoswitchable inhibitors of β-arrestin/β-Adaptin 2 protein-protein interaction

artículo científico publicado en 2015

Analyzing slowly exchanging protein conformations by ion mobility mass spectrometry: study of the dynamic equilibrium of prolyl oligopeptidase.

artículo científico publicado en 2016

Aβ40 and Aβ42 Amyloid Fibrils Exhibit Distinct Molecular Recycling Properties

scientific article published on 12 April 2011

Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air

scientific article published on 07 May 2019

Conformational analysis of a potent SSTR3-selective somatostatin analogue by NMR in water solution

artículo científico publicado en 2006

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

artículo científico publicado en 2018

Coupling of conformational and ionization equilibria in linear poly(ethylenimine): a study based on the site binding/rotational isomeric state (SBRIS) model

artículo científico publicado en 2014

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

artículo científico publicado en 2005

Development and characterization of peptidic fusion inhibitors derived from HIV-1 gp41 with partial D-amino acid substitutions.

artículo científico publicado en 2009

Disruption of the HIV-1 protease dimer with interface peptides: structural studies using NMR spectroscopy combined with [2-(13)C]-Trp selective labeling.

artículo científico publicado en 2007

ENPDA: an evolutionary structure-based de novo peptide design algorithm.

artículo científico publicado en 2005

Effect of crowding by Dextrans in enzymatic reactions.

artículo científico publicado en 2013

Effect of crowding by dextrans on the hydrolysis of N-Succinyl-L-phenyl-Ala-p-nitroanilide catalyzed by α-chymotrypsin

scientific article published on 29 December 2010

Effect of pH on the Supramolecular Structure of Helicobacter pylori Urease by Molecular Dynamics Simulations

artículo científico publicado en 2020

Effect of the surface charge discretization on electric double layers: a Monte Carlo simulation study

artículo científico publicado en 2007

Evolutionary computation and multimodal search: a good combination to tackle molecular diversity in the field of peptide design

artículo científico publicado en 2006

Fuzzy partitioning of clinical data for DMT2 patients

scientific article published on 11 September 2020

Hydrogen/deuterium exchange-protected oligomers populated during Aβ fibril formation correlate with neuronal cell death.

artículo científico publicado en 2014

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

artículo científico publicado en 2020

Insight into electric field-induced rupture mechanism of water-in-toluene emulsion films from a model system

artículo científico publicado en 2017

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

artículo científico

Iron oxide nanoparticles - In vivo/in vitro biomedical applications and in silico studies.

artículo científico publicado en 2017

Macromolecular crowding effect upon in vitro enzyme kinetics: mixed activation-diffusion control of the oxidation of NADH by pyruvate catalyzed by lactate dehydrogenase

artículo científico publicado en 2014

Mechanism of action of and resistance to quinolones

scientific article published on 13 October 2008

Mechanism of binding of fluoroquinolones to the quinolone resistance-determining region of DNA gyrase: towards an understanding of the molecular basis of quinolone resistance.

artículo científico publicado en 2008

Molecular dynamics simulation of the spherical electrical double layer of a soft nanoparticle: effect of the surface charge and counterion valence

artículo científico publicado en 2012

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

artículo científico publicado en 2014

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

artículo científico publicado el 17 de marzo de 2011

On the Use of the Discrete Constant pH Molecular Dynamics to Describe the Conformational Space of Peptides

artículo científico publicado en 2020

Pre-selection and assessment of green organic solvents by clustering chemometric tools.

artículo científico publicado en 2017

Relevant elements of a maize gamma-zein domain involved in protein body biogenesis

artículo científico publicado en 2010

Retro-enantio N-methylated peptides as beta-amyloid aggregation inhibitors

artículo científico publicado en 2009

Role of Charge Regulation and Fluctuations in the Conformational and Mechanical Properties of Weak Flexible Polyelectrolytes

scientific article published on 29 November 2019

Lista de obras de Sergio Madurga

A new side opening on prolyl oligopeptidase revealed by electron microscopy.

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

Absence of a stable secondary structure is not a limitation for photoswitchable inhibitors of β-arrestin/β-Adaptin 2 protein-protein interaction

Analyzing slowly exchanging protein conformations by ion mobility mass spectrometry: study of the dynamic equilibrium of prolyl oligopeptidase.

Aβ40 and Aβ42 Amyloid Fibrils Exhibit Distinct Molecular Recycling Properties

Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air

Conformational analysis of a potent SSTR3-selective somatostatin analogue by NMR in water solution

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

Coupling of conformational and ionization equilibria in linear poly(ethylenimine): a study based on the site binding/rotational isomeric state (SBRIS) model

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

Development and characterization of peptidic fusion inhibitors derived from HIV-1 gp41 with partial D-amino acid substitutions.

Disruption of the HIV-1 protease dimer with interface peptides: structural studies using NMR spectroscopy combined with [2-(13)C]-Trp selective labeling.

ENPDA: an evolutionary structure-based de novo peptide design algorithm.

Effect of crowding by Dextrans in enzymatic reactions.

Effect of crowding by dextrans on the hydrolysis of N-Succinyl-L-phenyl-Ala-p-nitroanilide catalyzed by α-chymotrypsin

Effect of pH on the Supramolecular Structure of Helicobacter pylori Urease by Molecular Dynamics Simulations

Effect of the surface charge discretization on electric double layers: a Monte Carlo simulation study

Evolutionary computation and multimodal search: a good combination to tackle molecular diversity in the field of peptide design

Fuzzy partitioning of clinical data for DMT2 patients

Hydrogen/deuterium exchange-protected oligomers populated during Aβ fibril formation correlate with neuronal cell death.

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

Insight into electric field-induced rupture mechanism of water-in-toluene emulsion films from a model system

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

Iron oxide nanoparticles - In vivo/in vitro biomedical applications and in silico studies.

Macromolecular crowding effect upon in vitro enzyme kinetics: mixed activation-diffusion control of the oxidation of NADH by pyruvate catalyzed by lactate dehydrogenase

Mechanism of action of and resistance to quinolones

Mechanism of binding of fluoroquinolones to the quinolone resistance-determining region of DNA gyrase: towards an understanding of the molecular basis of quinolone resistance.

Molecular dynamics simulation of the spherical electrical double layer of a soft nanoparticle: effect of the surface charge and counterion valence

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

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

On the Use of the Discrete Constant pH Molecular Dynamics to Describe the Conformational Space of Peptides

Pre-selection and assessment of green organic solvents by clustering chemometric tools.

Relevant elements of a maize gamma-zein domain involved in protein body biogenesis

Retro-enantio N-methylated peptides as beta-amyloid aggregation inhibitors

Role of Charge Regulation and Fluctuations in the Conformational and Mechanical Properties of Weak Flexible Polyelectrolytes