Lista de obras - Béla Viskolcz - Dominio Público Uruguay

3D QSAR models for alpha2a-adrenoceptor agonists.

artículo científico publicado en 2007

A Hidden Active Site in the Potential Drug Target Mycobacterium tuberculosis dUTPase Is Accessible through Small Amplitude Protein Conformational Changes ⬇️

artículo científico publicado en 2016

A Quantitative Scale for the Degree of Aromaticity and Antiaromaticity: A Comparison of Theoretical and Experimental Enthalpies of Hydrogenation

A quantitative scale for the extent of conjugation of substituted olefines.

artículo científico publicado en 2009

A quantitative scale for the extent of conjugation of the amide bond. Amidity percentage as a chemical driving force

artículo científico publicado en 2007

Absorption spectrum and absolute absorption cross sections of CH3O2 radicals and CH3I molecules in the wavelength range 7473-7497 cm(-1).

artículo científico publicado en 2013

Activation mechanism of the human histamine H4 receptor--an explicit membrane molecular dynamics simulation study.

artículo científico publicado en 2008

Allylic H-Abstraction Mechanism: The Potential Energy Surface of the Reaction of Propene with OH Radical.

artículo científico publicado en 2006

Allylic hydrogen abstraction II. H-abstraction from 1,4 type polyalkenes as a model for free radical trapping by polyunsaturated fatty acids (PUFAs)

artículo científico publicado en 2007

An Ab Initio Investigation of the 4,4′-Methlylene Diphenyl Diamine (4,4′-MDA) Formation from the Reaction of Aniline with Formaldehyde

artículo científico publicado en 2019

Antioxidant potential of glutathione: a theoretical study

artículo científico publicado en 2011

Atropisomerism of the Asn α Radicals Revealed by Ramachandran Surface Topology

artículo científico publicado en 2013

Chemical evolution of biomolecule building blocks. Can thermodynamics explain the accumulation of glycine in the prebiotic ocean?

artículo científico publicado en 2011

Conformation-Dependent •OH/H2O2 Hydrogen Abstraction Reaction Cycles of Gly and Ala Residues: A Comparative Theoretical Study

artículo científico publicado en 2012

Critical evaluation of the potential energy surface of the CH3 + HO2reaction system

artículo científico publicado en 2015

Development and Application of Carbon-Layer-Stabilized, Nitrogen-Doped, Bamboo-Like Carbon Nanotube Catalysts in CO Hydrogenation

artículo científico publicado en 2018

First Principle Computational Study on the Full Conformational Space ofl-Proline Diamides

scientific article published on 01 March 2005

First-Principle Computational Study on the Full Conformational Space ofl-Threonine Diamide, the Energetic Stability of Cis and Trans Isomers

artículo científico publicado en 2006

Flexibility of "polyunsaturated fatty acid chains" and peptide backbones: A comparative ab initio study

artículo científico publicado en 2005

Folded and Unfolded Conformations of the ω-3 Polyunsaturated Fatty Acid Family: CH3CH2[CHCHCH2]B[CH2]MCOOH. First Principles Study

artículo científico publicado en 2006

Formation Mechanism of Benzo(a)pyrene: One of the Most Carcinogenic Polycyclic Aromatic Hydrocarbons (PAH)

artículo científico publicado en 2019

Global optimization of cholic acid aggregates

artículo científico publicado en 2014

Glutathione as a Prebiotic Answer to α-Peptide Based Life

artículo científico publicado en 2015

Glutathione--hydroxyl radical interaction: a theoretical study on radical recognition process

artículo científico publicado en 2013

Glycerol carbonate as a fuel additive for a sustainable future

article published in 2018

High Accuracy ab Initio Calculations on Reactions of OH with 1-Alkenes. The Case of Propene.

artículo científico publicado en 2009

High efficiency two-photon uncaging coupled by the correction of spontaneous hydrolysis.

artículo científico publicado en 2018

Homology Modeling and Validation of the Human M1 Muscarinic Acetylcholine Receptor

artículo científico publicado en 2012

Measurement of absolute absorption cross sections for nitrous acid (HONO) in the near-infrared region by the continuous wave cavity ring-down spectroscopy (cw-CRDS) technique coupled to laser photolysis.

artículo científico publicado en 2011

Mixed micelles of sodium cholate and sodium dodecylsulphate 1:1 binary mixture at different temperatures--experimental and theoretical investigations

artículo científico publicado en 2014

Molecular Dynamics and Metadynamics Insights of 1,4-Dioxane-Induced Structural Changes of Biomembrane Models

artículo científico publicado en 2019

Molecular Surgery Concept from Bench to Bedside: A Focus on TRPV1+ Pain-Sensing Neurons

artículo científico publicado en 2017

Molecular ageing: free radical initiated epimerization of thymopentin--a case study.

artículo científico publicado en 2014

Nonenzymatic Pathway of PUFA Oxidation. A First-Principles Study of the Reactions of OH Radical with 1,4-Pentadiene and Arachidonic Acid

artículo científico publicado en 2008

Penicillin's catalytic mechanism revealed by inelastic neutrons and quantum chemical theory.

artículo científico publicado en 2013

Protein Stability and Unfolding Following Glycine Radical Formation

artículo científico publicado en 2017

Purification of Fluorescently Derivatized N-Glycans by Magnetic Iron Nanoparticles

scientific article published on 17 October 2019

Quantifying the intrinsic effects of two point mutation models of pro-pro-pro triamino acid diamide. A first-principle computational study.

artículo científico

Quantifying the intrinsic effects of two point mutation models of proline-proline diamino acid diamide: a first-principle computational study.

artículo científico

Quantitative scale for the extent of conjugation of carbonyl groups: "carbonylicity" percentage as a chemical driving force

artículo científico publicado en 2008

Quantum chemical analysis of the unfolding of a penta-alanyl 3(10)-helix initiated by HO(•), HO2(•) and O2(-•).

artículo científico publicado en 2011

Quantum chemical analysis of the unfolding of a penta-glycyl 310-helix initiated by HO•, HO2•, and O2−•

artículo científico publicado en 2011

Radical Formation Initiates Solvent-Dependent Unfolding and β-sheet Formation in a Model Helical Peptide

artículo científico publicado en 2016

Rate coefficients and equilibrium constant for the CH2CHO + O2 reaction system.

artículo científico publicado en 2006

Role of Aromacity, Ring Strain, and Stereochemistry of Selected Disulfides and Their Congeners in the Oxidative Linkage of DNA Strands at the Major Groove. A Computational Study

artículo científico publicado en 2006

Serum N-Glycosylation in Parkinson's Disease: A Novel Approach for Potential Alterations

artículo científico publicado en 2019

The Analysis of Human Serum N-Glycosylation in Patients with Primary and Metastatic Brain Tumors

artículo científico publicado en 2021

The Effect of Newly Developed OPLS-AA Alanyl Radical Parameters on Peptide Secondary Structure.

artículo científico publicado en 2012

The effect of a Pro28Thr point mutation on the local structure and stability of human galactokinase enzyme—a theoretical study

artículo científico publicado en 2011

The effect of hydroxyl moieties and their oxosubstitution on bile acid association studied in floating monolayers

artículo científico publicado en 2014

The effect of oxidative stress on the bursopentin peptide structure: a theoretical study

artículo científico publicado en 2014

Theoretical study on reactions of HO2 radical with photodissociation products of Cl2SO (ClSO and SO).

artículo científico publicado en 2009

Thermodynamic Functions of Conformational Changes: Conformational Network of Glycine Diamide Folding, Entropy Lowering, and Informational Accumulation

artículo científico publicado en 2006

Thermodynamic functions of conformational changes. 2. Conformational entropy as a measure of information accumulation

artículo científico publicado en 2006

Thermodynamic role of glutathione oxidation by peroxide and peroxybicarbonate in the prevention of Alzheimer's disease and cancer.

artículo científico publicado en 2009

Transition State Infrared Spectra for the Trans→Cis Isomerization of a Simple Peptide Model

article

Urethane Formation with an Excess of Isocyanate or Alcohol: Experimental and Ab Initio Study

scientific article published on 22 September 2019

Lista de obras de Béla Viskolcz

3D QSAR models for alpha2a-adrenoceptor agonists.

A Hidden Active Site in the Potential Drug Target Mycobacterium tuberculosis dUTPase Is Accessible through Small Amplitude Protein Conformational Changes ⬇️

A Quantitative Scale for the Degree of Aromaticity and Antiaromaticity: A Comparison of Theoretical and Experimental Enthalpies of Hydrogenation

A quantitative scale for the extent of conjugation of substituted olefines.

A quantitative scale for the extent of conjugation of the amide bond. Amidity percentage as a chemical driving force

Absorption spectrum and absolute absorption cross sections of CH3O2 radicals and CH3I molecules in the wavelength range 7473-7497 cm(-1).

Activation mechanism of the human histamine H4 receptor--an explicit membrane molecular dynamics simulation study.

Allylic H-Abstraction Mechanism: The Potential Energy Surface of the Reaction of Propene with OH Radical.

Allylic hydrogen abstraction II. H-abstraction from 1,4 type polyalkenes as a model for free radical trapping by polyunsaturated fatty acids (PUFAs)

An Ab Initio Investigation of the 4,4′-Methlylene Diphenyl Diamine (4,4′-MDA) Formation from the Reaction of Aniline with Formaldehyde

Antioxidant potential of glutathione: a theoretical study

Atropisomerism of the Asn α Radicals Revealed by Ramachandran Surface Topology

Chemical evolution of biomolecule building blocks. Can thermodynamics explain the accumulation of glycine in the prebiotic ocean?

Conformation-Dependent •OH/H2O2 Hydrogen Abstraction Reaction Cycles of Gly and Ala Residues: A Comparative Theoretical Study

Critical evaluation of the potential energy surface of the CH3 + HO2reaction system

Development and Application of Carbon-Layer-Stabilized, Nitrogen-Doped, Bamboo-Like Carbon Nanotube Catalysts in CO Hydrogenation

First Principle Computational Study on the Full Conformational Space ofl-Proline Diamides

First-Principle Computational Study on the Full Conformational Space ofl-Threonine Diamide, the Energetic Stability of Cis and Trans Isomers

Flexibility of "polyunsaturated fatty acid chains" and peptide backbones: A comparative ab initio study

Folded and Unfolded Conformations of the ω-3 Polyunsaturated Fatty Acid Family: CH3CH2[CHCHCH2]B[CH2]MCOOH. First Principles Study

Formation Mechanism of Benzo(a)pyrene: One of the Most Carcinogenic Polycyclic Aromatic Hydrocarbons (PAH)

Global optimization of cholic acid aggregates

Glutathione as a Prebiotic Answer to α-Peptide Based Life

Glutathione--hydroxyl radical interaction: a theoretical study on radical recognition process

Glycerol carbonate as a fuel additive for a sustainable future

High Accuracy ab Initio Calculations on Reactions of OH with 1-Alkenes. The Case of Propene.

High efficiency two-photon uncaging coupled by the correction of spontaneous hydrolysis.

Homology Modeling and Validation of the Human M1 Muscarinic Acetylcholine Receptor

Measurement of absolute absorption cross sections for nitrous acid (HONO) in the near-infrared region by the continuous wave cavity ring-down spectroscopy (cw-CRDS) technique coupled to laser photolysis.

Mixed micelles of sodium cholate and sodium dodecylsulphate 1:1 binary mixture at different temperatures--experimental and theoretical investigations

Molecular Dynamics and Metadynamics Insights of 1,4-Dioxane-Induced Structural Changes of Biomembrane Models

Molecular Surgery Concept from Bench to Bedside: A Focus on TRPV1+ Pain-Sensing Neurons

Molecular ageing: free radical initiated epimerization of thymopentin--a case study.

Nonenzymatic Pathway of PUFA Oxidation. A First-Principles Study of the Reactions of OH Radical with 1,4-Pentadiene and Arachidonic Acid

Penicillin's catalytic mechanism revealed by inelastic neutrons and quantum chemical theory.

Protein Stability and Unfolding Following Glycine Radical Formation

Purification of Fluorescently Derivatized N-Glycans by Magnetic Iron Nanoparticles

Quantifying the intrinsic effects of two point mutation models of pro-pro-pro triamino acid diamide. A first-principle computational study.

Quantifying the intrinsic effects of two point mutation models of proline-proline diamino acid diamide: a first-principle computational study.

Quantitative scale for the extent of conjugation of carbonyl groups: "carbonylicity" percentage as a chemical driving force

Quantum chemical analysis of the unfolding of a penta-alanyl 3(10)-helix initiated by HO(•), HO2(•) and O2(-•).

Quantum chemical analysis of the unfolding of a penta-glycyl 310-helix initiated by HO•, HO2•, and O2−•

Radical Formation Initiates Solvent-Dependent Unfolding and β-sheet Formation in a Model Helical Peptide

Rate coefficients and equilibrium constant for the CH2CHO + O2 reaction system.

Role of Aromacity, Ring Strain, and Stereochemistry of Selected Disulfides and Their Congeners in the Oxidative Linkage of DNA Strands at the Major Groove. A Computational Study

Serum N-Glycosylation in Parkinson's Disease: A Novel Approach for Potential Alterations

The Analysis of Human Serum N-Glycosylation in Patients with Primary and Metastatic Brain Tumors

The Effect of Newly Developed OPLS-AA Alanyl Radical Parameters on Peptide Secondary Structure.

The effect of a Pro28Thr point mutation on the local structure and stability of human galactokinase enzyme—a theoretical study

The effect of hydroxyl moieties and their oxosubstitution on bile acid association studied in floating monolayers

The effect of oxidative stress on the bursopentin peptide structure: a theoretical study

Theoretical study on reactions of HO2 radical with photodissociation products of Cl2SO (ClSO and SO).

Thermodynamic Functions of Conformational Changes: Conformational Network of Glycine Diamide Folding, Entropy Lowering, and Informational Accumulation

Thermodynamic functions of conformational changes. 2. Conformational entropy as a measure of information accumulation

Thermodynamic role of glutathione oxidation by peroxide and peroxybicarbonate in the prevention of Alzheimer's disease and cancer.

Transition State Infrared Spectra for the Trans→Cis Isomerization of a Simple Peptide Model

Urethane Formation with an Excess of Isocyanate or Alcohol: Experimental and Ab Initio Study