Search filters

List of works by Béla Viskolcz

3D QSAR models for alpha2a-adrenoceptor agonists.

scientific article published on 14 June 2007

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

scientific article published on 4 November 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.

scientific article

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

scientific article published on 28 November 2007

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

scientific article

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

scientific article

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

scientific article published in November 2006

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

scientific article published in 2007

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

scientific article published on 01 March 2019

Antioxidant potential of glutathione: a theoretical study

scientific article published on 6 September 2011

Atropisomerism of the Asn α Radicals Revealed by Ramachandran Surface Topology

scientific article published on 3 October 2013

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

scientific article published in 2011

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

scientific article published on 10 January 2012

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

scientific article published on 7 February 2015

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

scientific article published on 05 October 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

scientific article published on 01 October 2006

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

scientific article published in January 2005

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

scientific article published in May 2006

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

scientific article published on 15 March 2019

Global optimization of cholic acid aggregates

scientific article published on 01 April 2014

Glutathione as a Prebiotic Answer to α-Peptide Based Life

scientific article published on 3 March 2015

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

scientific article (publication date: 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.

scientific article published on September 2009

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

scientific article published on 2 March 2018

Homology Modeling and Validation of the Human M1 Muscarinic Acetylcholine Receptor

scientific article published on 7 September 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.

scientific article

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

scientific article

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

scientific article published on 10 September 2019

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

scientific article

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

scientific article published in May 2014

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

scientific article published on 2 August 2008

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

scientific article

Protein Stability and Unfolding Following Glycine Radical Formation

scientific article

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.

scientific article published on 20 October 2007

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

scientific article published on 08 September 2007

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

scientific article published on 3 September 2008

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

scientific article

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

scientific article published on 21 July 2011

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

scientific article

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

scientific article published in March 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

scientific article published on 13 September 2006

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

scientific article published on 13 June 2019

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

scientific article published on 06 January 2021

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

scientific article

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

scientific article published on 25 January 2011

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

scientific article published on 25 December 2014

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

scientific article published in May 2014

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

scientific article

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

scientific article published in December 2006

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

scientific article published in March 2006

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

scientific article published in August 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

Paulina is supported by:

About Paulina

Help