Lista de obras - Ángel Piñeiro - Dominio Público Uruguay

A critical approach to the thermodynamic characterization of inclusion complexes: multiple-temperature isothermal titration calorimetric studies of native cyclodextrins with sodium dodecyl sulfate.

artículo científico publicado en 2011

A proposal for the estimation of binary mixture activity coefficients from surface tension measurements throughout the entire concentration range

A small molecular size system giving unexpected surface effects: alpha-Cyclodextrin + sodium dodecyl sulfate in water.

artículo científico publicado en 2008

A strategy based on thermal flexibility to design triosephosphate isomerase proteins with increased or decreased kinetic stability

artículo científico publicado en 2018

AFFINImeter: A software to analyze molecular recognition processes from experimental data

artículo científico publicado en 2019

Activity Coefficients at Infinite Dilution from Surface Tension Data

Addressing the complexities in measuring cyclodextrin-sterol binding constants: A multidimensional study

Aggregation versus inclusion complexes to solubilize drugs with cyclodextrins. A case study using sulphobutylether-β-cyclodextrins and remdesivir

artículo científico publicado en 2021

An immersive journey to the molecular structure of SARS-CoV-2: Virtual Reality in COVID-19

scientific article published on 18 September 2020

Application of the Extended Langmuir model to surface tension data of binary liquid mixtures

Complex Behavior of Aqueous α-Cyclodextrin Solutions. Interfacial Morphologies Resulting from Bulk Aggregation.

artículo científico publicado en 2016

Conformational effects of Lys191 in the human GnRH receptor: mutagenesis and molecular dynamics simulations studies.

artículo científico publicado en 2009

Cooperative Assembly of Discrete Stacked Aggregates Driven by Supramolecular Host–Guest Complexation

artículo científico publicado en 2013

Correction to Molecular Dynamics Simulations of Phosphatidylcholine Membranes: A Comparative Force Field Study

artículo científico publicado en 2017

Cyclo-lib: a database of computational molecular dynamics simulations of cyclodextrins.

artículo científico publicado en 2016

Cyclodextrin dimers: A versatile approach to optimizing encapsulation and their application to therapeutic extraction of toxic oxysterols

Cyclodextrin-based self-assembled nanotubes at the water/air interface.

artículo científico publicado en 2007

Delving Into the Origin of Destructive Inflammation in COVID-19: A Betrayal of Natural Host Defense Peptides?

Effect of ionization on the behavior of n-eicosanephosphonic acid monolayers at the air/water interface. Experimental determinations and molecular dynamics simulations

artículo científico publicado en 2015

Excess volumes and isobaric heat capacities of diisopropyl ether with several alkanols at 298.15K

Exploring the conformational dynamics and membrane interactions of PorB from C. glutamicum: A multi-scale molecular dynamics simulation study ⬇️

artículo científico publicado el 24 de febrero de 2011

Extending ITC to Kinetics with kinITC.

artículo científico publicado en 2015

Fluid interface calorimetry

Functional and structural roles of conserved cysteine residues in the carboxyl-terminal domain of the follicle-stimulating hormone receptor in human embryonic kidney 293 cells.

artículo científico publicado en 2008

GADDLE Maps: General Algorithm for Discrete Object Deformations Based on Local Exchange Maps.

artículo científico publicado en 2017

Highly viscoelastic films at the water/air interface: α-Cyclodextrin with anionic surfactants

artículo científico publicado en 2019

Hydrogenated/Fluorinated Catanionic Surfactants as Potential Templates for Nanostructure Design ⬇️

artículo científico publicado el 20 de julio de 2011

Intermediate structures for higher level arrangements: catching disk-like micelles in decane phosphonic acid aqueous solutions

scientific article published on 14 May 2013

Interplay between Protein Thermal Flexibility and Kinetic Stability

artículo científico publicado en 2017

Inverse Conformational Selection in Lipid–Protein Binding

artículo científico publicado en 2021

Key structural arrangements at the C-terminus domain of CETP suggest a potential mechanism for lipid-transfer activity

artículo científico publicado en 2014

Langmuir monolayers of a hydrogenated/fluorinated catanionic surfactant: from the macroscopic to the nanoscopic size scale.

artículo científico publicado en 2009

Lipid Bilayer Membrane Perturbation by Embedded Nanopores: A Simulation Study

artículo científico publicado en 2016

Modeling and molecular dynamics simulation of the human gonadotropin-releasing hormone receptor in a lipid bilayer

artículo científico publicado en 2008

Molecular Dynamics Simulations Reveal Insights into Key Structural Elements of Adenosine Receptors

artículo científico publicado en 2011

Molecular Dynamics Simulations of Phosphatidylcholine Membranes: A Comparative Force Field Study

artículo científico publicado en 2012

Molecular Dynamics Simulations of Transmembrane Cyclic Peptide Nanotubes Using Classical Force Fields, Hydrogen Mass Repartitioning, and Hydrogen Isotope Exchange Methods: A Critical Comparison

artículo científico publicado en 2022

Molecular dynamics study of triosephosphate isomerase from Trypanosoma cruzi in water/decane mixtures.

artículo científico publicado en 2008

Molecular insights into the effects of focused ultrasound mechanotherapy on lipid bilayers: Unlocking the keys to design effective treatments

Multiscale molecular dynamics simulations of micelles: coarse-grain for self-assembly and atomic resolution for finer details

Not so rigid capsids based on cyclodextrin complexes: Keys to design

On the characterization of host-guest complexes: surface tension, calorimetry, and molecular dynamics of cyclodextrins with a non-ionic surfactant.

artículo científico publicado en 2007

On the self-assembly of a highly selective benzothiazole-based TIM inhibitor in aqueous solution.

artículo científico publicado en 2010

Refractive indices, molar volumes and molar refractions of binary liquid mixtures: concepts and correlationsElectronic supplementary information (ESI) available: Table of data (S1) and figures (S1–S5). See http://www.rsc.org/suppdata/cp/b2/b208765k

Remdesivir interactions with sulphobutylether-β-cyclodextrins: A case study using selected substitution patterns

Rings, Hexagons, Hetals, and Dipolar Moment Sink-Sources: The Fanciful Behavior of Water around Cyclodextrin Complexes

artículo científico publicado en 2020

STAND: Surface Tension for Aggregation Number Determination.

artículo científico publicado en 2016

Similarities and differences between cyclodextrin-sodium dodecyl sulfate host-guest complexes of different stoichiometries: molecular dynamics simulations at several temperatures.

artículo científico publicado en 2010

Simple ApproximaTion for Aggregation Number Determination by Isothermal Titration Calorimetry: STAND-ITC

SuPepMem: A database of innate immune system peptides and their cell membrane interactions

artículo científico publicado en 2022

Surface adsorption and bulk aggregation of cyclodextrins by computational molecular dynamics simulations as a function of temperature: α-CD vs β-CD

artículo científico publicado en 2014

Surface films of short fluorocarbon-hydrocarbon diblocks studied by molecular dynamics simulations: Spontaneous formation of elongated hemimicelles

artículo científico publicado en 2008

Testing the effect of the cavity size and the number of molecular substitutions in host–guest complexes formed by 2-hydroxypropyl-cyclodextrins and n-octyl-β-d-glucopyranoside

The "true" affinities of metal cations to p-sulfonatocalix[4]arene: a thermodynamic study at neutral pH reveals a pitfall due to salt effects in microcalorimetry

artículo científico publicado en 2013

The Lord of the NanoRings: cyclodextrins and the battle against SARS-CoV-2

artículo científico publicado en 2020

Lista de obras de Ángel Piñeiro

A critical approach to the thermodynamic characterization of inclusion complexes: multiple-temperature isothermal titration calorimetric studies of native cyclodextrins with sodium dodecyl sulfate.

A proposal for the estimation of binary mixture activity coefficients from surface tension measurements throughout the entire concentration range

A small molecular size system giving unexpected surface effects: alpha-Cyclodextrin + sodium dodecyl sulfate in water.

A strategy based on thermal flexibility to design triosephosphate isomerase proteins with increased or decreased kinetic stability

AFFINImeter: A software to analyze molecular recognition processes from experimental data

Activity Coefficients at Infinite Dilution from Surface Tension Data

Addressing the complexities in measuring cyclodextrin-sterol binding constants: A multidimensional study

Aggregation versus inclusion complexes to solubilize drugs with cyclodextrins. A case study using sulphobutylether-β-cyclodextrins and remdesivir

An immersive journey to the molecular structure of SARS-CoV-2: Virtual Reality in COVID-19

Application of the Extended Langmuir model to surface tension data of binary liquid mixtures

Complex Behavior of Aqueous α-Cyclodextrin Solutions. Interfacial Morphologies Resulting from Bulk Aggregation.

Conformational effects of Lys191 in the human GnRH receptor: mutagenesis and molecular dynamics simulations studies.

Cooperative Assembly of Discrete Stacked Aggregates Driven by Supramolecular Host–Guest Complexation

Correction to Molecular Dynamics Simulations of Phosphatidylcholine Membranes: A Comparative Force Field Study

Cyclo-lib: a database of computational molecular dynamics simulations of cyclodextrins.

Cyclodextrin dimers: A versatile approach to optimizing encapsulation and their application to therapeutic extraction of toxic oxysterols

Cyclodextrin-based self-assembled nanotubes at the water/air interface.

Delving Into the Origin of Destructive Inflammation in COVID-19: A Betrayal of Natural Host Defense Peptides?

Effect of ionization on the behavior of n-eicosanephosphonic acid monolayers at the air/water interface. Experimental determinations and molecular dynamics simulations

Excess volumes and isobaric heat capacities of diisopropyl ether with several alkanols at 298.15K

Exploring the conformational dynamics and membrane interactions of PorB from C. glutamicum: A multi-scale molecular dynamics simulation study ⬇️

Extending ITC to Kinetics with kinITC.

Fluid interface calorimetry

Functional and structural roles of conserved cysteine residues in the carboxyl-terminal domain of the follicle-stimulating hormone receptor in human embryonic kidney 293 cells.

GADDLE Maps: General Algorithm for Discrete Object Deformations Based on Local Exchange Maps.

Highly viscoelastic films at the water/air interface: α-Cyclodextrin with anionic surfactants

Hydrogenated/Fluorinated Catanionic Surfactants as Potential Templates for Nanostructure Design ⬇️

Intermediate structures for higher level arrangements: catching disk-like micelles in decane phosphonic acid aqueous solutions

Interplay between Protein Thermal Flexibility and Kinetic Stability

Inverse Conformational Selection in Lipid–Protein Binding

Key structural arrangements at the C-terminus domain of CETP suggest a potential mechanism for lipid-transfer activity

Langmuir monolayers of a hydrogenated/fluorinated catanionic surfactant: from the macroscopic to the nanoscopic size scale.

Lipid Bilayer Membrane Perturbation by Embedded Nanopores: A Simulation Study

Modeling and molecular dynamics simulation of the human gonadotropin-releasing hormone receptor in a lipid bilayer

Molecular Dynamics Simulations Reveal Insights into Key Structural Elements of Adenosine Receptors

Molecular Dynamics Simulations of Phosphatidylcholine Membranes: A Comparative Force Field Study

Molecular Dynamics Simulations of Transmembrane Cyclic Peptide Nanotubes Using Classical Force Fields, Hydrogen Mass Repartitioning, and Hydrogen Isotope Exchange Methods: A Critical Comparison

Molecular dynamics study of triosephosphate isomerase from Trypanosoma cruzi in water/decane mixtures.

Molecular insights into the effects of focused ultrasound mechanotherapy on lipid bilayers: Unlocking the keys to design effective treatments

Multiscale molecular dynamics simulations of micelles: coarse-grain for self-assembly and atomic resolution for finer details

Not so rigid capsids based on cyclodextrin complexes: Keys to design

On the characterization of host-guest complexes: surface tension, calorimetry, and molecular dynamics of cyclodextrins with a non-ionic surfactant.

On the self-assembly of a highly selective benzothiazole-based TIM inhibitor in aqueous solution.

Refractive indices, molar volumes and molar refractions of binary liquid mixtures: concepts and correlationsElectronic supplementary information (ESI) available: Table of data (S1) and figures (S1–S5). See http://www.rsc.org/suppdata/cp/b2/b208765k

Remdesivir interactions with sulphobutylether-β-cyclodextrins: A case study using selected substitution patterns

Rings, Hexagons, Hetals, and Dipolar Moment Sink-Sources: The Fanciful Behavior of Water around Cyclodextrin Complexes

STAND: Surface Tension for Aggregation Number Determination.

Similarities and differences between cyclodextrin-sodium dodecyl sulfate host-guest complexes of different stoichiometries: molecular dynamics simulations at several temperatures.

Simple ApproximaTion for Aggregation Number Determination by Isothermal Titration Calorimetry: STAND-ITC

SuPepMem: A database of innate immune system peptides and their cell membrane interactions

Surface adsorption and bulk aggregation of cyclodextrins by computational molecular dynamics simulations as a function of temperature: α-CD vs β-CD

Surface films of short fluorocarbon-hydrocarbon diblocks studied by molecular dynamics simulations: Spontaneous formation of elongated hemimicelles

Testing the effect of the cavity size and the number of molecular substitutions in host–guest complexes formed by 2-hydroxypropyl-cyclodextrins and n-octyl-β-d-glucopyranoside

The "true" affinities of metal cations to p-sulfonatocalix[4]arene: a thermodynamic study at neutral pH reveals a pitfall due to salt effects in microcalorimetry

The Lord of the NanoRings: cyclodextrins and the battle against SARS-CoV-2

The Role of AI in Drug Discovery: Challenges, Opportunities, and Strategies

The standard Gibbs energy of adsorption from the bulk at the surface of liquid mixtures: reinterpretation of Traube's rule

Thermodynamics of Mixing Tetrahydrofuran with 1-Alkanols and Excess Enthalpies of Homomorphy-Related Systems

Thermodynamics of Mixing Tetrahydropyran with 1-Alkanols and Excess Enthalpies of Homomorphy-Related Systems

Thermodynamics of Mixtures Involving Some Linear or Cyclic Ketones and Cyclic Ethers. 2. Systems Containing Tetrahydropyran

Thermodynamics of Mixtures Involving Some Linear or Cyclic Ketones and Cyclic Ethers. 3. Systems Containing 1,4-Dioxane

Thermodynamics of Mixtures Involving Some Linear or Cyclic Ketones and Cyclic Ethers. 4. Systems Containing 1,3-Dioxolane

Thermodynamics of the interaction between hydroxypropyl-α-cyclodextrin and alkanols in aqueous solutions

Transmembrane Self-Assembled Cyclic Peptide Nanotubes Based on α-Residues and Cyclic δ-Amino Acids: A Computational Study

Uncovering the mechanisms of cyclic peptide self-assembly in membranes with the chirality-aware MA(R/S)TINI forcefield

Unravelling hierarchical levels of structure in lipid membranes

Unsupervised bubble calorimetry analysis: Surface tension from isothermal titration calorimetry