Lista de obras - Waldemar Kulig - Dominio Público Uruguay

A 'clusters-in-liquid' method for calculating infrared spectra identifies the proton-transfer mode in acidic aqueous solutions.

artículo científico publicado en 2012

A sodium atom in a large water cluster: Electron delocalization and infrared spectra

artículo científico publicado en 2008

Absorption profile and femtosecond intraband relaxation of the intense upper Davydov component in oligothiophenes

artículo científico publicado en 2010

Bobbing of Oxysterols: Molecular Mechanism for Translocation of Tail-Oxidized Sterols through Biological Membranes.

artículo científico publicado en 2018

Both Zundel and Eigen isomers contribute to the IR spectrum of the gas-phase H9O4+ cluster

artículo científico publicado en 2013

Cholesterol Protects the Oxidized Lipid Bilayer from Water Injury: An All-Atom Molecular Dynamics Study

artículo científico publicado en 2018

Cholesterol oxidation products and their biological importance

artículo científico publicado en 2016

Cholesterol under oxidative stress—How lipid membranes sense oxidation as cholesterol is being replaced by oxysterols

artículo científico publicado en 2015

Cis and trans unsaturated phosphatidylcholine bilayers: A molecular dynamics simulation study

article

Complex Behavior of Phosphatidylcholine-Phosphatidic Acid Bilayers and Monolayers: Effect of Acyl Chain Unsaturation

scientific article published on 16 April 2019

Deciphering the infrared spectrum of the protonated water pentamer and the hybrid Eigen-Zundel cation

artículo científico publicado en 2014

Effect of Phosphatidic Acid on Biomembrane: Experimental and Molecular Dynamics Simulations Study

artículo científico publicado en 2015

Excited-state polarizability in crystalline sexithiophene: Charge-transfer and vibronic effects

Experimental determination and computational interpretation of biophysical properties of lipid bilayers enriched by cholesteryl hemisuccinate

artículo científico publicado en 2014

Functionalization of the Parylene C Surface Enhances the Nucleation of Calcium Phosphate: Combined Experimental and Molecular Dynamics Simulations Approach

artículo científico publicado en 2020

How To Minimize Artifacts in Atomistic Simulations of Membrane Proteins, Whose Crystal Structure Is Heavily Engineered: β₂-Adrenergic Receptor in the Spotlight.

artículo científico publicado en 2015

How to minimize dye-induced perturbations while studying biomembrane structure and dynamics: PEG linkers as a rational alternative

artículo científico publicado en 2018

How well does cholesteryl hemisuccinate mimic cholesterol in saturated phospholipid bilayers?

Intermediate vibronic coupling in charge transfer states: Comprehensive calculation of electronic excitations in sexithiophene crystal

artículo científico publicado en 2011

Intraband relaxation of Frenkel excitons in sexithiophene crystals

artículo científico publicado en 2009

Mcl-1 and Bok transmembrane domains: Unexpected players in the modulation of apoptosis

artículo científico publicado en 2020

Mechanism of allosteric regulation of β2-adrenergic receptor by cholesterol

artículo científico publicado en 2016

Molecular Dynamics Insights into Water-Parylene C Interface: Relevance of Oxygen Plasma Treatment for Biocompatibility.

artículo científico publicado en 2017

Multiscale Simulations of Biological Membranes: The Challenge To Understand Biological Phenomena in a Living Substance

artículo científico publicado en 2019

Oxysterols Versus Cholesterol in Model Neuronal Membrane. I. The Case of 7-Ketocholesterol. The Langmuir Monolayer Study.

artículo científico publicado en 2017

Physiologically-relevant levels of sphingomyelin, but not GM1, induces a β-sheet-rich structure in the amyloid-β(1-42) monomer.

artículo científico publicado en 2018

Reactivity of a sodium atom in vibrationally excited water clusters: An ab initio molecular dynamics study

article

Reduced level of docosahexaenoic acid shifts GPCR neuroreceptors to less ordered membrane regions

scientific article published on 20 May 2019

Rigorous computational study reveals what docking overlooks: Double trouble from membrane association in protein kinase C modulators

scientific article published on 11 September 2020

Spectral shape of intense exciton absorption in oligothiophene crystals

artículo científico publicado en 2009

Steric and electronic effects in the host-guest hydrogen bonding in clathrate hydrates

scientific article published on 07 February 2011

Tail-Oxidized Cholesterol Enhances Membrane Permeability for Small Solutes

scientific article published on 17 August 2020

The role of hydrophobic matching on transmembrane helix packing in cells

artículo científico publicado en 2017

Topologies, structures and parameter files for lipid simulations in GROMACS with the OPLS-aa force field: DPPC, POPC, DOPC, PEPC, and cholesterol

artículo científico publicado en 2015

Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions

artículo científico publicado en 2015

Unbound exciton–phonon states in oligothiophene crystals – A model approach for spectroscopic purposes

artículo científico publicado en 2008

Unusual features of the quaterthiophene electro‐absorption spectrum

artículo científico publicado en 2008

Lista de obras de Waldemar Kulig

A 'clusters-in-liquid' method for calculating infrared spectra identifies the proton-transfer mode in acidic aqueous solutions.

A sodium atom in a large water cluster: Electron delocalization and infrared spectra

Absorption profile and femtosecond intraband relaxation of the intense upper Davydov component in oligothiophenes

Bobbing of Oxysterols: Molecular Mechanism for Translocation of Tail-Oxidized Sterols through Biological Membranes.

Both Zundel and Eigen isomers contribute to the IR spectrum of the gas-phase H9O4+ cluster

Cholesterol Protects the Oxidized Lipid Bilayer from Water Injury: An All-Atom Molecular Dynamics Study

Cholesterol oxidation products and their biological importance

Cholesterol under oxidative stress—How lipid membranes sense oxidation as cholesterol is being replaced by oxysterols

Cis and trans unsaturated phosphatidylcholine bilayers: A molecular dynamics simulation study

Complex Behavior of Phosphatidylcholine-Phosphatidic Acid Bilayers and Monolayers: Effect of Acyl Chain Unsaturation

Deciphering the infrared spectrum of the protonated water pentamer and the hybrid Eigen-Zundel cation

Effect of Phosphatidic Acid on Biomembrane: Experimental and Molecular Dynamics Simulations Study

Excited-state polarizability in crystalline sexithiophene: Charge-transfer and vibronic effects

Experimental determination and computational interpretation of biophysical properties of lipid bilayers enriched by cholesteryl hemisuccinate

Functionalization of the Parylene C Surface Enhances the Nucleation of Calcium Phosphate: Combined Experimental and Molecular Dynamics Simulations Approach

How To Minimize Artifacts in Atomistic Simulations of Membrane Proteins, Whose Crystal Structure Is Heavily Engineered: β₂-Adrenergic Receptor in the Spotlight.

How to minimize dye-induced perturbations while studying biomembrane structure and dynamics: PEG linkers as a rational alternative

How well does cholesteryl hemisuccinate mimic cholesterol in saturated phospholipid bilayers?

Intermediate vibronic coupling in charge transfer states: Comprehensive calculation of electronic excitations in sexithiophene crystal

Intraband relaxation of Frenkel excitons in sexithiophene crystals

Mcl-1 and Bok transmembrane domains: Unexpected players in the modulation of apoptosis

Mechanism of allosteric regulation of β2-adrenergic receptor by cholesterol

Molecular Dynamics Insights into Water-Parylene C Interface: Relevance of Oxygen Plasma Treatment for Biocompatibility.

Multiscale Simulations of Biological Membranes: The Challenge To Understand Biological Phenomena in a Living Substance

Oxysterols Versus Cholesterol in Model Neuronal Membrane. I. The Case of 7-Ketocholesterol. The Langmuir Monolayer Study.

Physiologically-relevant levels of sphingomyelin, but not GM1, induces a β-sheet-rich structure in the amyloid-β(1-42) monomer.

Reactivity of a sodium atom in vibrationally excited water clusters: An ab initio molecular dynamics study

Reduced level of docosahexaenoic acid shifts GPCR neuroreceptors to less ordered membrane regions

Rigorous computational study reveals what docking overlooks: Double trouble from membrane association in protein kinase C modulators

Spectral shape of intense exciton absorption in oligothiophene crystals

Steric and electronic effects in the host-guest hydrogen bonding in clathrate hydrates

Tail-Oxidized Cholesterol Enhances Membrane Permeability for Small Solutes

The role of hydrophobic matching on transmembrane helix packing in cells

Topologies, structures and parameter files for lipid simulations in GROMACS with the OPLS-aa force field: DPPC, POPC, DOPC, PEPC, and cholesterol

Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions

Unbound exciton–phonon states in oligothiophene crystals – A model approach for spectroscopic purposes

Unusual features of the quaterthiophene electro‐absorption spectrum

Vibronic coupling in Frenkel and charge-transfer states of oligothiophene crystals