Lista de obras -

Comparative molecular dynamics study of lipid membranes containing cholesterol and ergosterol

artículo científico publicado en 2006

Correlation between the number of Pro-Ala repeats in the EmrA homologue of Acinetobacter baumannii and resistance to netilmicin, tobramycin, imipenem and ceftazidime.

artículo científico publicado en 2016

Dominant Pathways of Adenosyl Radical-Induced DNA Damage Revealed by QM/MM Metadynamics.

artículo científico publicado en 2017

Effect of chemical structure on complexation efficiency of aromatic drugs with cyclodextrins: The example of dibenzazepine derivatives

artículo científico publicado en 2020

Effect of osmolytes on the thermal stability of proteins: replica exchange simulations of Trp-cage in urea and betaine solutions

artículo científico publicado en 2018

Erratum to: Hydration of amino acids: FTIR spectra and molecular dynamics studies

artículo científico publicado en 2016

How do sterols determine the antifungal activity of amphotericin B? Free energy of binding between the drug and its membrane targets

artículo científico publicado en 2010

How proteins bind to DNA: target discrimination and dynamic sequence search by the telomeric protein TRF1.

artículo científico publicado en 2017

Hydration of amino acids: FTIR spectra and molecular dynamics studies.

artículo científico publicado en 2015

Influence of a lipid bilayer on the conformational behavior of amphotericin B derivatives - A molecular dynamics study

artículo científico publicado en 2009

Interaction of amphotericin B and its selected derivatives with membranes: molecular modeling studies

artículo científico publicado en 2006

Interactions of amphotericin B derivatives with lipid membranes—A molecular dynamics study

article

Intercalation complex of imidazoacridinone C-1311, a potential anticancer drug, with DNA helix d(CGATCG)2: stereostructural studies by 2D NMR spectroscopy

artículo científico publicado en 2015

Intramolecular transformation of an antifungal antibiotic nystatin A1 into its isomer, iso-nystatin A1 - structural and molecular modeling studies.

artículo científico publicado en 2016

Iron-Sulfur Cluster Biogenesis Chaperones: Evidence for Emergence of Mutational Robustness of a Highly Specific Protein-Protein Interaction

artículo científico publicado en 2015

Keep It Flexible: Driving Macromolecular Rotary Motions in Atomistic Simulations with GROMACS.

artículo científico publicado en 2011

Localization and Orientation of Xanthophylls in a Lipid Bilayer

artículo científico publicado en 2017

Mechanism of Binding of Antifungal Antibiotic Amphotericin B to Lipid Membranes: An Insight from Combined Single-Membrane Imaging, Microspectroscopy, and Molecular Dynamics

scientific article published on 20 August 2018

Mechanochemical Energy Transduction during the Main Rotary Step in the Synthesis Cycle of F1-ATPase.

artículo científico publicado en 2017

Membrane Sterols Modulate the Binding Mode of Amphotericin B without Affecting Its Affinity for a Lipid Bilayer

artículo científico publicado en 2016

Modulation of Amphotericin B Membrane Interaction by Cholesterol and ErgosterolA Molecular Dynamics Study

article

Molecular aspects of the interaction between amphotericin B and a phospholipid bilayer: molecular dynamics studies.

artículo científico publicado en 2004

Molecular basis of the osmolyte effect on protein stability: a lesson from the mechanical unfolding of lysozyme

artículo científico publicado en 2016

Molecular dynamics simulations reveal the balance of forces governing the formation of a guanine tetrad-a common structural unit of G-quadruplex DNA.

artículo científico publicado en 2016

Molecular mechanism of proton-coupled ligand translocation by the bacterial efflux pump EmrE

artículo científico publicado en 2021

Molecular modelling of membrane activity of amphotericin B, a polyene macrolide antifungal antibiotic.

artículo científico publicado en 2005

Molecular recognition in complexes of TRF proteins with telomeric DNA

artículo científico publicado en 2014

Molywood: streamlining the design and rendering of molecular movies

artículo científico publicado en 2020

Monosaccharides as internal probes for the determination of the absolute configuration of 2-butanol

artículo científico publicado en 2006

On the possibility of the amphotericin B-sterol complex formation in cholesterol- and ergosterol-containing lipid bilayers: a molecular dynamics study

artículo científico publicado en 2009

Role of cholesterol in substrate recognition by ...-secretase

Role of the disulfide bond in stabilizing and folding of the fimbrial protein DraE from uropathogenic Escherichia coli

artículo científico publicado en 2017

Rotation triggers nucleotide-independent conformational transition of the empty β subunit of F₁-ATPase

artículo científico publicado en 2014

Self-association of amphotericin B: spontaneous formation of molecular structures responsible for the toxic side effects of the antibiotic.

artículo científico publicado en 2014

Specific Binding of Cholesterol to the Amyloid Precursor Protein: Structure of the Complex and Driving Forces Characterized in Molecular Detail

scientific article published on 13 February 2015

Structure and evolution of the 4-helix bundle domain of Zuotin, a J-domain protein co-chaperone of Hsp70

scientific article published on 15 May 2019

Telomere uncapping by common oxidative guanine lesions: Insights from atomistic models

artículo científico publicado en 2020

The Product of Matrix Metalloproteinase Cleavage of Doxorubicin Conjugate for Anticancer Drug Delivery: Calorimetric, Spectroscopic, and Molecular Dynamics Studies on Peptide-Doxorubicin Binding to DNA

scientific article published on 21 September 2020

The effect of sterols on amphotericin B self-aggregation in a lipid bilayer as revealed by free energy simulations

artículo científico publicado en 2013

The mechanism of overcoming multidrug resistance (MDR) of fungi by amphotericin B and its derivatives

scientific article published on 01 July 2007

Thermodynamics and kinetics of amphotericin B self-association in aqueous solution characterized in molecular detail

artículo científico publicado en 2016

Torsional elasticity and energetics of F1-ATPase

artículo científico publicado en 2011

Two-step mechanism of J-domain action in driving Hsp70 function

artículo científico publicado en 2020

Why do G-quadruplexes dimerize through the 5'-ends? Driving forces for G4 DNA dimerization examined in atomic detail

artículo científico publicado en 2019

Lista de obras de

Comparative molecular dynamics study of lipid membranes containing cholesterol and ergosterol

Correlation between the number of Pro-Ala repeats in the EmrA homologue of Acinetobacter baumannii and resistance to netilmicin, tobramycin, imipenem and ceftazidime.

Dominant Pathways of Adenosyl Radical-Induced DNA Damage Revealed by QM/MM Metadynamics.

Effect of chemical structure on complexation efficiency of aromatic drugs with cyclodextrins: The example of dibenzazepine derivatives

Effect of osmolytes on the thermal stability of proteins: replica exchange simulations of Trp-cage in urea and betaine solutions

Erratum to: Hydration of amino acids: FTIR spectra and molecular dynamics studies

How do sterols determine the antifungal activity of amphotericin B? Free energy of binding between the drug and its membrane targets

How proteins bind to DNA: target discrimination and dynamic sequence search by the telomeric protein TRF1.

Hydration of amino acids: FTIR spectra and molecular dynamics studies.

Influence of a lipid bilayer on the conformational behavior of amphotericin B derivatives - A molecular dynamics study

Interaction of amphotericin B and its selected derivatives with membranes: molecular modeling studies

Interactions of amphotericin B derivatives with lipid membranes—A molecular dynamics study

Intercalation complex of imidazoacridinone C-1311, a potential anticancer drug, with DNA helix d(CGATCG)2: stereostructural studies by 2D NMR spectroscopy

Intramolecular transformation of an antifungal antibiotic nystatin A1 into its isomer, iso-nystatin A1 - structural and molecular modeling studies.

Iron-Sulfur Cluster Biogenesis Chaperones: Evidence for Emergence of Mutational Robustness of a Highly Specific Protein-Protein Interaction

Keep It Flexible: Driving Macromolecular Rotary Motions in Atomistic Simulations with GROMACS.

Localization and Orientation of Xanthophylls in a Lipid Bilayer

Mechanism of Binding of Antifungal Antibiotic Amphotericin B to Lipid Membranes: An Insight from Combined Single-Membrane Imaging, Microspectroscopy, and Molecular Dynamics

Mechanochemical Energy Transduction during the Main Rotary Step in the Synthesis Cycle of F1-ATPase.

Membrane Sterols Modulate the Binding Mode of Amphotericin B without Affecting Its Affinity for a Lipid Bilayer

Modulation of Amphotericin B Membrane Interaction by Cholesterol and ErgosterolA Molecular Dynamics Study

Molecular aspects of the interaction between amphotericin B and a phospholipid bilayer: molecular dynamics studies.

Molecular basis of the osmolyte effect on protein stability: a lesson from the mechanical unfolding of lysozyme

Molecular dynamics simulations reveal the balance of forces governing the formation of a guanine tetrad-a common structural unit of G-quadruplex DNA.

Molecular mechanism of proton-coupled ligand translocation by the bacterial efflux pump EmrE

Molecular modelling of membrane activity of amphotericin B, a polyene macrolide antifungal antibiotic.

Molecular recognition in complexes of TRF proteins with telomeric DNA

Molywood: streamlining the design and rendering of molecular movies

Monosaccharides as internal probes for the determination of the absolute configuration of 2-butanol

On the possibility of the amphotericin B-sterol complex formation in cholesterol- and ergosterol-containing lipid bilayers: a molecular dynamics study

Role of cholesterol in substrate recognition by ...-secretase

Role of the disulfide bond in stabilizing and folding of the fimbrial protein DraE from uropathogenic Escherichia coli

Rotation triggers nucleotide-independent conformational transition of the empty β subunit of F₁-ATPase

Self-association of amphotericin B: spontaneous formation of molecular structures responsible for the toxic side effects of the antibiotic.

Specific Binding of Cholesterol to the Amyloid Precursor Protein: Structure of the Complex and Driving Forces Characterized in Molecular Detail

Structure and evolution of the 4-helix bundle domain of Zuotin, a J-domain protein co-chaperone of Hsp70

Telomere uncapping by common oxidative guanine lesions: Insights from atomistic models

The Product of Matrix Metalloproteinase Cleavage of Doxorubicin Conjugate for Anticancer Drug Delivery: Calorimetric, Spectroscopic, and Molecular Dynamics Studies on Peptide-Doxorubicin Binding to DNA

The effect of sterols on amphotericin B self-aggregation in a lipid bilayer as revealed by free energy simulations

The mechanism of overcoming multidrug resistance (MDR) of fungi by amphotericin B and its derivatives

Thermodynamics and kinetics of amphotericin B self-association in aqueous solution characterized in molecular detail

Torsional elasticity and energetics of F1-ATPase

Two-step mechanism of J-domain action in driving Hsp70 function

Why do G-quadruplexes dimerize through the 5'-ends? Driving forces for G4 DNA dimerization examined in atomic detail