Lista de obras -

A comparative study of the thermal stability of plastocyanin, cytochrome c(6) and Photosystem I in thermophilic and mesophilic cyanobacteria.

artículo científico publicado en 2001

A double-deletion method to quantifying incremental binding energies in proteins from experiment: example of a destabilizing hydrogen bonding pair.

artículo científico publicado en 2004

A pyrene-inhibitor fluorescent probe with large Stokes shift for the staining of Aβ, α-synuclein, and amylin amyloid fibrils as well as amyloid-containing Staphylococcus aureus biofilms

scientific article published on 09 November 2018

Accurate Calculation of Barnase and SNase Folding Energetics Using Short Molecular Dynamics Simulations and an Atomistic Model of the Unfolded Ensemble: Evaluation of Force Fields and Water Models

scientific article published on 01 October 2019

Allosteric inhibitors of the NS3 protease from the hepatitis C virus

artículo científico publicado en 2013

Alpha-helix stability in proteins. I. Empirical correlations concerning substitution of side-chains at the N and C-caps and the replacement of alanine by glycine or serine at solvent-exposed surfaces

artículo científico publicado el 20 de septiembre de 1992

Alpha-helix stabilization by alanine relative to glycine: roles of polar and apolar solvent exposures and of backbone entropy

scientific article published on 01 August 2006

An N-terminal fragment of barnase has residual helical structure similar to that in a refolding intermediate

artículo científico publicado el 5 de abril de 1992

An extensive thermodynamic characterization of the dimerization domain of the HIV-1 capsid protein.

artículo científico publicado en 2005

Anabaena sp. PCC 7119 flavodoxin as electron carrier from photosystem I to ferredoxin-NADP+ reductase. Role of Trp(57) and Tyr(94).

artículo científico publicado en 2002

Antimicrobial susceptibility and resistance patterns among Helicobacter pylori strains from The Gambia, West Africa.

artículo científico publicado en 2012

Apoflavodoxin: Structure, stability, and FMN binding

scientific article published on 01 October 1998

Benzbromarone, Quercetin, and Folic Acid Inhibit Amylin Aggregation

artículo científico publicado en 2016

Biophysical Screening for Identifying Pharmacological Chaperones and Inhibitors Against Conformational and Infectious Diseases

artículo científico publicado en 2016

Common conformational changes in flavodoxins induced by FMN and anion binding: the structure of Helicobacter pylori apoflavodoxin

artículo científico publicado en 2007

Comparison of DNA binding across protein superfamilies.

artículo científico publicado en 2010

Computational diagnosis of protein conformational diseases: short molecular dynamics simulations reveal a fast unfolding of r-LDL mutants that cause familial hypercholesterolemia.

artículo científico publicado en 2007

Conformational stability of Helicobacter pylori flavodoxin: fit to function at pH 5.

artículo científico publicado en 2007

Defining the nature of thermal intermediate in 3 state folding proteins: apoflavodoxin, a study case.

artículo científico publicado en 2012

Design and structure of an equilibrium protein folding intermediate: a hint into dynamical regions of proteins

artículo científico publicado en 2010

Design of ligand binding to an engineered protein cavity using virtual screening and thermal up-shift evaluation.

artículo científico publicado en 2005

Design, Synthesis, and Efficacy Testing of Nitroethylene- and 7-Nitrobenzoxadiazol-Based Flavodoxin Inhibitors against Helicobacter pylori Drug-Resistant Clinical Strains and in Helicobacter pylori-Infected Mice

artículo científico publicado en 2019

Determination of the excited-state lifetimes of the tryptophan residues in barnase, via multifrequency phase fluorometry of tryptophan mutants ⬇️

artículo científico publicado el 28 de enero de 1992

Differential Stabilization of the Three FMN Redox Forms by Tyrosine 94 and Tryptophan 57 in Flavodoxin from Anabaena and Its Influence on the Redox Potentials ⬇️

artículo científico publicado el 25 de noviembre de 1997

Direct examination of the relevance for folding, binding and electron transfer of a conserved protein folding intermediate.

artículo científico

Discovery of novel inhibitors of amyloid β-peptide 1-42 aggregation.

artículo científico publicado en 2012

Discovery of specific flavodoxin inhibitors as potential therapeutic agents against Helicobacter pylori infection

artículo científico publicado en 2009

Dissection of an enzyme by protein engineering. The N and C-terminal fragments of barnase form a native-like complex with restored enzymic activity

artículo científico publicado el 5 de abril de 1992

Do proteins always benefit from a stability increase? Relevant and residual stabilisation in a three-state protein by charge optimisation

scientific article published on 01 November 2004

Do proteins with similar folds have similar transition state structures? A diffuse transition state of the 169 residue apoflavodoxin

artículo científico publicado en 2006

Effect of alanine versus glycine in alpha-helices on protein stability

artículo científico publicado el 2 de abril de 1992

Energetics of a hydrogen bond (charged and neutral) and of a cation-pi interaction in apoflavodoxin

artículo científico publicado en 1999

Energetics of aliphatic deletions in protein cores

artículo científico publicado en 2006

Equilibrium phi-analysis of a molten globule: the 1-149 apoflavodoxin fragment.

artículo científico publicado en 2005

Flavodoxins as Novel Therapeutic Targets against Helicobacter pylori and Other Gastric Pathogens

scientific article published on 10 March 2020

Flavodoxins: sequence, folding, binding, function and beyond.

artículo científico publicado en 2006

High-Throughput Screening Methodology to Identify Alpha-Synuclein Aggregation Inhibitors

artículo científico publicado en 2017

Histidine-aromatic interactions in barnase. Elevation of histidine pKa and contribution to protein stability

artículo científico publicado el 5 de abril de 1992

Identification of Inhibitors Targeting Ferredoxin-NADP⁺ Reductase from the Xanthomonas citri subsp. citri Phytopathogenic Bacteria.

artículo científico publicado en 2017

Identification of specific pluripotent stem cell death--inducing small molecules by chemical screening.

artículo científico publicado en 2012

Identifying potential novel drugs against Helicobacter pylori by targeting the essential response regulator HsrA

scientific article published on 05 August 2019

Improved flavodoxin inhibitors with potential therapeutic effects against Helicobacter pylori infection.

artículo científico publicado en 2013

In vivo reconstitution of a homodimeric cytochrome b559 like structure: The role of the N-terminus α-subunit from Synechocystis sp. PCC 6803.

artículo científico

Inhibition of Pig Phosphoenolpyruvate Carboxykinase Isoenzymes by 3-Mercaptopicolinic Acid and Novel Inhibitors

artículo científico publicado en 2016

Insights into immune evasion of human metapneumovirus: novel 180- and 111-nucleotide duplications within viral G gene throughout 2014-2017 seasons in Barcelona, Spain

scientific article published on 11 August 2020

Intradomain Confinement of Disulfides in the Folding of Two Consecutive Modules of the LDL Receptor

artículo científico publicado en 2015

LDL receptor/lipoprotein recognition: endosomal weakening of ApoB and ApoE binding to the convex face of the LR5 repeat

artículo científico publicado en 2014

Low-density lipoprotein receptor is a calcium/magnesium sensor - role of LR4 and LR5 ion interaction kinetics in low-density lipoprotein release in the endosome

artículo científico publicado en 2014

Mapping transition states of protein unfolding by protein engineering of ligand-binding sites ⬇️

artículo científico publicado el 5 de octubre de 1991

Mechanism of FMN Binding to the Apoflavodoxin from Helicobacter pylori

artículo científico publicado en 2011

Mechanism of low density lipoprotein (LDL) release in the endosome: implications of the stability and Ca2+ affinity of the fifth binding module of the LDL receptor.

artículo científico publicado en 2008

Molecular dynamics simulations for genetic interpretation in protein coding regions: where we are, where to go and when

scientific article published on 08 December 2019

Molten globule and native state ensemble of Helicobacter pylori flavodoxin: can crowding, osmolytes or cofactors stabilize the native conformation relative to the molten globule?

artículo científico publicado en 2008

Native-specific stabilization of flavodoxin by the FMN cofactor: structural and thermodynamical explanation

scientific article published on 01 May 2006

Pathway of protein folding

artículo científico publicado el 1 de enero de 1992

Predicting stabilizing mutations in proteins using Poisson-Boltzmann based models: study of unfolded state ensemble models and development of a successful binary classifier based on residue interaction energies.

artículo científico publicado en 2015

PrionScan: an online database of predicted prion domains in complete proteomes.

artículo científico publicado en 2014

ProtSA: a web application for calculating sequence specific protein solvent accessibilities in the unfolded ensemble.

artículo científico publicado en 2009

Protein Dynamics Governed by Interfaces of High Polarity and Low Packing Density ⬇️

artículo científico publicado el 26 de octubre de 2012

Protein-cation interactions: structural and thermodynamic aspects.

artículo científico publicado en 2011

Rational stabilization of complex proteins: a divide and combine approach

artículo científico publicado en 2015

Redox- and Ligand Binding-Dependent Conformational Ensembles in the Human Apoptosis-Inducing Factor Regulate Its Pro-Life and Cell Death Functions

scientific article published on 11 January 2019

Repurposing Dihydropyridines for Treatment of Helicobacter pylori Infection

scientific article published on 15 December 2019

Role of neighboring FMN side chains in the modulation of flavin reduction potentials and in the energetics of the FMN:apoprotein interaction in Anabaena flavodoxin

scientific article published on 01 December 2004

SIMPLE estimate of the free energy change due to aliphatic mutations: superior predictions based on first principles

artículo científico publicado en 2007

Selective Targeting of Human and Animal Pathogens of the Genus by Flavodoxin Inhibitors: Efficacy, Synergy, Resistance and Mechanistic Studies

Sequence-specific solvent accessibilities of protein residues in unfolded protein ensembles.

artículo científico publicado en 2006

Small molecule inhibits α-synuclein aggregation, disrupts amyloid fibrils, and prevents degeneration of dopaminergic neurons

article published in the Proceedings of the National Academy of Sciences of the United States of America

Stereoselective synthesis and biological evaluation as inhibitors of hepatitis C virus RNA polymerase of GSK3082 analogues with structural diversity at the 5-position

scientific article published on 12 March 2019

Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target

artículo científico publicado en 2016

Structural Analysis of an Equilibrium Folding Intermediate in the Apoflavodoxin Native Ensemble by Small-Angle X-ray Scattering ⬇️

artículo científico publicado el 7 de enero de 2011

Structural and mechanistic basis of the interaction between a pharmacological chaperone and human phenylalanine hydroxylase

artículo científico publicado en 2012

Structure of Stable Protein Folding Intermediates by Equilibrium ϕ-Analysis: The Apoflavodoxin Thermal Intermediate

article

The FurA regulon in Anabaena sp. PCC 7120: in silico prediction and experimental validation of novel target genes.

artículo científico publicado en 2014

The Long and Short Flavodoxins

artículo científico publicado en 2004

The Mycobacterium tuberculosis phoPR operon is positively autoregulated in the virulent strain H37Rv.

artículo científico publicado en 2008

The closed conformation of the LDL receptor is destabilized by the low Ca(++) concentration but favored by the high Mg(++) concentration in the endosome

scientific journal article

The flavodoxin from Helicobacter pylori: structural determinants of thermostability and FMN cofactor binding.

artículo científico publicado en 2007

The mechanism of water/ion exchange at a protein surface: a weakly bound chloride in Helicobacter pylori apoflavodoxin.

artículo científico publicado en 2015

The native-state ensemble of proteins provides clues for folding, misfolding and function

artículo científico publicado en 2006

The stability of 2-state, 3-state and more-state proteins from simple spectroscopic techniques... plus the structure of the equilibrium intermediates at the same time.

artículo científico publicado en 2012

Therapeutic strategies for Gaucher disease: miglustat (NB-DNJ) as a pharmacological chaperone for glucocerebrosidase and the different thermostability of velaglucerase alfa and imiglucerase

artículo científico publicado en 2011

Thermal stability of beta-lactoglobulin in the presence of aqueous solution of alcohols and polyols

scientific article published on 04 December 2006

Thermodynamics of protein-cation interaction: Ca+2 and Mg+2 binding to the fifth binding module of the LDL receptor

artículo científico publicado en 2010

Towards a new therapeutic target: Helicobacter pylori flavodoxin.

artículo científico publicado en 2005

Underexposed polar residues and protein stabilization.

artículo científico publicado en 2010

VSDMIP: virtual screening data management on an integrated platform.

artículo científico publicado en 2008

Lista de obras de

A comparative study of the thermal stability of plastocyanin, cytochrome c(6) and Photosystem I in thermophilic and mesophilic cyanobacteria.

A double-deletion method to quantifying incremental binding energies in proteins from experiment: example of a destabilizing hydrogen bonding pair.

A pyrene-inhibitor fluorescent probe with large Stokes shift for the staining of Aβ, α-synuclein, and amylin amyloid fibrils as well as amyloid-containing Staphylococcus aureus biofilms

Accurate Calculation of Barnase and SNase Folding Energetics Using Short Molecular Dynamics Simulations and an Atomistic Model of the Unfolded Ensemble: Evaluation of Force Fields and Water Models

Allosteric inhibitors of the NS3 protease from the hepatitis C virus

Alpha-helix stability in proteins. I. Empirical correlations concerning substitution of side-chains at the N and C-caps and the replacement of alanine by glycine or serine at solvent-exposed surfaces

Alpha-helix stabilization by alanine relative to glycine: roles of polar and apolar solvent exposures and of backbone entropy

An N-terminal fragment of barnase has residual helical structure similar to that in a refolding intermediate

An extensive thermodynamic characterization of the dimerization domain of the HIV-1 capsid protein.

Anabaena sp. PCC 7119 flavodoxin as electron carrier from photosystem I to ferredoxin-NADP+ reductase. Role of Trp(57) and Tyr(94).

Antimicrobial susceptibility and resistance patterns among Helicobacter pylori strains from The Gambia, West Africa.

Apoflavodoxin: Structure, stability, and FMN binding

Benzbromarone, Quercetin, and Folic Acid Inhibit Amylin Aggregation

Biophysical Screening for Identifying Pharmacological Chaperones and Inhibitors Against Conformational and Infectious Diseases

Common conformational changes in flavodoxins induced by FMN and anion binding: the structure of Helicobacter pylori apoflavodoxin

Comparison of DNA binding across protein superfamilies.

Computational diagnosis of protein conformational diseases: short molecular dynamics simulations reveal a fast unfolding of r-LDL mutants that cause familial hypercholesterolemia.

Conformational stability of Helicobacter pylori flavodoxin: fit to function at pH 5.

Defining the nature of thermal intermediate in 3 state folding proteins: apoflavodoxin, a study case.

Design and structure of an equilibrium protein folding intermediate: a hint into dynamical regions of proteins

Design of ligand binding to an engineered protein cavity using virtual screening and thermal up-shift evaluation.

Design, Synthesis, and Efficacy Testing of Nitroethylene- and 7-Nitrobenzoxadiazol-Based Flavodoxin Inhibitors against Helicobacter pylori Drug-Resistant Clinical Strains and in Helicobacter pylori-Infected Mice

Determination of the excited-state lifetimes of the tryptophan residues in barnase, via multifrequency phase fluorometry of tryptophan mutants ⬇️

Differential Stabilization of the Three FMN Redox Forms by Tyrosine 94 and Tryptophan 57 in Flavodoxin from Anabaena and Its Influence on the Redox Potentials ⬇️

Direct examination of the relevance for folding, binding and electron transfer of a conserved protein folding intermediate.

Discovery of novel inhibitors of amyloid β-peptide 1-42 aggregation.

Discovery of specific flavodoxin inhibitors as potential therapeutic agents against Helicobacter pylori infection

Dissection of an enzyme by protein engineering. The N and C-terminal fragments of barnase form a native-like complex with restored enzymic activity

Do proteins always benefit from a stability increase? Relevant and residual stabilisation in a three-state protein by charge optimisation

Do proteins with similar folds have similar transition state structures? A diffuse transition state of the 169 residue apoflavodoxin

Effect of alanine versus glycine in alpha-helices on protein stability

Energetics of a hydrogen bond (charged and neutral) and of a cation-pi interaction in apoflavodoxin

Energetics of aliphatic deletions in protein cores

Equilibrium phi-analysis of a molten globule: the 1-149 apoflavodoxin fragment.

Flavodoxins as Novel Therapeutic Targets against Helicobacter pylori and Other Gastric Pathogens

Flavodoxins: sequence, folding, binding, function and beyond.

High-Throughput Screening Methodology to Identify Alpha-Synuclein Aggregation Inhibitors

Histidine-aromatic interactions in barnase. Elevation of histidine pKa and contribution to protein stability

Identification of Inhibitors Targeting Ferredoxin-NADP⁺ Reductase from the Xanthomonas citri subsp. citri Phytopathogenic Bacteria.

Identification of specific pluripotent stem cell death--inducing small molecules by chemical screening.

Identifying potential novel drugs against Helicobacter pylori by targeting the essential response regulator HsrA

Improved flavodoxin inhibitors with potential therapeutic effects against Helicobacter pylori infection.

In vivo reconstitution of a homodimeric cytochrome b559 like structure: The role of the N-terminus α-subunit from Synechocystis sp. PCC 6803.

Inhibition of Pig Phosphoenolpyruvate Carboxykinase Isoenzymes by 3-Mercaptopicolinic Acid and Novel Inhibitors

Insights into immune evasion of human metapneumovirus: novel 180- and 111-nucleotide duplications within viral G gene throughout 2014-2017 seasons in Barcelona, Spain

Intradomain Confinement of Disulfides in the Folding of Two Consecutive Modules of the LDL Receptor

LDL receptor/lipoprotein recognition: endosomal weakening of ApoB and ApoE binding to the convex face of the LR5 repeat

Low-density lipoprotein receptor is a calcium/magnesium sensor - role of LR4 and LR5 ion interaction kinetics in low-density lipoprotein release in the endosome

Mapping transition states of protein unfolding by protein engineering of ligand-binding sites ⬇️

Mechanism of FMN Binding to the Apoflavodoxin from Helicobacter pylori

Mechanism of low density lipoprotein (LDL) release in the endosome: implications of the stability and Ca2+ affinity of the fifth binding module of the LDL receptor.

Molecular dynamics simulations for genetic interpretation in protein coding regions: where we are, where to go and when

Molten globule and native state ensemble of Helicobacter pylori flavodoxin: can crowding, osmolytes or cofactors stabilize the native conformation relative to the molten globule?

Native-specific stabilization of flavodoxin by the FMN cofactor: structural and thermodynamical explanation

Pathway of protein folding

Predicting stabilizing mutations in proteins using Poisson-Boltzmann based models: study of unfolded state ensemble models and development of a successful binary classifier based on residue interaction energies.

PrionScan: an online database of predicted prion domains in complete proteomes.

ProtSA: a web application for calculating sequence specific protein solvent accessibilities in the unfolded ensemble.

Protein Dynamics Governed by Interfaces of High Polarity and Low Packing Density ⬇️

Protein-cation interactions: structural and thermodynamic aspects.

Rational stabilization of complex proteins: a divide and combine approach

Redox- and Ligand Binding-Dependent Conformational Ensembles in the Human Apoptosis-Inducing Factor Regulate Its Pro-Life and Cell Death Functions

Repurposing Dihydropyridines for Treatment of Helicobacter pylori Infection

Role of neighboring FMN side chains in the modulation of flavin reduction potentials and in the energetics of the FMN:apoprotein interaction in Anabaena flavodoxin

SIMPLE estimate of the free energy change due to aliphatic mutations: superior predictions based on first principles

Selective Targeting of Human and Animal Pathogens of the Genus by Flavodoxin Inhibitors: Efficacy, Synergy, Resistance and Mechanistic Studies

Sequence-specific solvent accessibilities of protein residues in unfolded protein ensembles.

Small molecule inhibits α-synuclein aggregation, disrupts amyloid fibrils, and prevents degeneration of dopaminergic neurons

Stereoselective synthesis and biological evaluation as inhibitors of hepatitis C virus RNA polymerase of GSK3082 analogues with structural diversity at the 5-position

Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target

Structural Analysis of an Equilibrium Folding Intermediate in the Apoflavodoxin Native Ensemble by Small-Angle X-ray Scattering ⬇️

Structural and mechanistic basis of the interaction between a pharmacological chaperone and human phenylalanine hydroxylase

Structure of Stable Protein Folding Intermediates by Equilibrium ϕ-Analysis: The Apoflavodoxin Thermal Intermediate

The FurA regulon in Anabaena sp. PCC 7120: in silico prediction and experimental validation of novel target genes.

The Long and Short Flavodoxins

The Mycobacterium tuberculosis phoPR operon is positively autoregulated in the virulent strain H37Rv.

The closed conformation of the LDL receptor is destabilized by the low Ca(++) concentration but favored by the high Mg(++) concentration in the endosome

The flavodoxin from Helicobacter pylori: structural determinants of thermostability and FMN cofactor binding.

The mechanism of water/ion exchange at a protein surface: a weakly bound chloride in Helicobacter pylori apoflavodoxin.