List of works - Wojciech Plazinski

A GROMOS Force Field for Furanose-Based Carbohydrates

scientific article published on 18 January 2019

A novel derivatives of thiazol-4(5H)-one and their activity in the inhibition of 11β-hydroxysteroid dehydrogenase type 1

scientific article published on 30 April 2018

A novel two-resistance model for description of the adsorption kinetics onto porous particles

scientific article published on 01 January 2010

Acyclic forms of aldohexoses and ketohexoses in aqueous and DMSO solutions: conformational features studied using molecular dynamics simulations

scientific article published on 01 April 2016

Agonist binding by the β2-adrenergic receptor: an effect of receptor conformation on ligand association-dissociation characteristics

scientific article

Benzo[b]thiophene-thiazoles as potent anti-Toxoplasma gondii agents: Design, synthesis, tyrosinase/tyrosine hydroxylase inhibitors, molecular docking study, and antioxidant activity

scientific article published on 10 October 2019

Binding of heavy metals by algal biosorbents. Theoretical models of kinetics, equilibria and thermodynamics.

scientific article published on 22 April 2013

Binding stoichiometry in sorption of divalent metal ions: a theoretical analysis based on the ion-exchange model.

scientific article

Calcium-α-L-guluronate complexes: Ca2+ binding modes from DFT-MD simulations

scientific article published on 27 September 2013

Comparison of Carbohydrate Force Fields in Molecular Dynamics Simulations of Protein–Carbohydrate Complexes

scientific article published on 11 March 2021

Conformational properties of acidic oligo- and disaccharides and their ability to bind calcium: a molecular modeling study ⬇️

scientific article published on May 26, 2012

Conformational properties of inulin, levan and arabinan studied by molecular dynamics simulations

scientific article published on 25 April 2020

Deciphering the conformational preferences of furanosides. A molecular dynamics study

scientific article published on 30 August 2019

Efficient sampling of high-energy states by machine learning force fields

scientific article published on 22 June 2020

Equilibrium and kinetic modeling of metal ion biosorption: on the ways of model generalization for the case of multicomponent systems

article

Extension of the GROMOS 56a6CARBO/CARBO_R Force Field for Charged, Protonated, and Esterified Uronates

scientific article published on 20 March 2018

Fast, metadynamics-based method for prediction of the stereochemistry-dependent relative free energies of ligand-receptor interactions

scientific article published on 24 February 2014

Force-induced structural changes in non-sulfated carrageenan based oligosaccharides - a theoretical study

scientific article published on 01 August 2018

HPLC-DAD Determination of Nitrite and Nitrate in Human Saliva Utilizing a Phosphatidylcholine Column

scientific article published on 06 May 2019

Heavy metals binding to biosorbents. Insights into Non-competitive models from a simple pH-dependent model

scientific article published on 01 June 2010

Interactions between CD44 protein and hyaluronan: insights from the computational study

scientific article published on 08 December 2011

Kinetic characteristics of conformational changes in the hexopyranose rings

scientific article published on 28 August 2015

Kinetics of dyes adsorption at the solid-solution interfaces: a theoretical description based on the two-step kinetic model

scientific article published in April 2008

Kinetics of isothermal gas adsorption on heterogeneous solid surfaces: equations based on generalization of the statistical rate theory of interfacial transport

scientific article published in November 2005

Kinetics of metal ions adsorption at heterogeneous solid/solution interfaces: A theoretical treatment based on statistical rate theory

scientific article published on 28 August 2008

Kinetics of solute adsorption at solid/aqueous interfaces: searching for the theoretical background of the modified pseudo-first-order kinetic equation

scientific article published on 22 April 2008

Kinetics of solute adsorption at solid/solution interfaces: a theoretical development of the empirical pseudo-first and pseudo-second order kinetic rate equations, based on applying the statistical rate theory of interfacial transport

scientific article published in August 2006

Kinetics of solute adsorption at solid/solution interfaces: on the special features of the initial adsorption kinetics.

scientific article published on 29 May 2008

Ligand-induced action of the W2866.48 rotamer toggle switch in the β2-adrenergic receptor.

scientific article published on 11 December 2017

Modeling of sorption kinetics: the pseudo-second order equation and the sorbate intraparticle diffusivity

article

Modeling the effect of pH on kinetics of heavy metal ion biosorption. A theoretical approach based on the statistical rate theory

scientific article published on 01 January 2009

Modeling the effect of surface heterogeneity in equilibrium of heavy metal ion biosorption by using the ion exchange model

scientific article published on 01 October 2009

Molecular Structure of Cefuroxime Axetil Complexes with α-, β-, γ-, and 2-Hydroxypropyl-β-Cyclodextrins: Molecular Simulations and Raman Spectroscopic and Imaging Studies ⬇️

journal article from 'International Journal of Molecular Sciences' published in 2021

Molecular basis of calcium binding by polyguluronate chains. Revising the egg‐box model ⬇️

scientific article published on July 21, 2011

Novel 2-(Adamantan-1-ylamino)Thiazol-4(5H)-One Derivatives and Their Inhibitory Activity towards 11β-HSD1—Synthesis, Molecular Docking and In Vitro Studies

scientific article

Pyranose ring conformations in mono- and oligosaccharides: a combined MD and DFT approach.

scientific article

Pyranose ring puckering in aldopentoses, ketohexoses and deoxyaldohexoses. A molecular dynamics study.

scientific article published on 21 November 2017

Revision of the GROMOS 56A6(CARBO) force field: Improving the description of ring-conformational equilibria in hexopyranose-based carbohydrates chains

scientific article published on 03 November 2015

Ring inversion properties of 1→2, 1→3 and 1→6-linked hexopyranoses and their correlation with the conformation of glycosidic linkages

scientific article published on 28 January 2016

Solid-phase extraction using octadecyl-bonded silica modified with photosynthetic pigments from Spinacia oleracea L. for the preconcentration of lead(II) ions from aqueous samples

scientific article published on 03 July 2018

Sorption of Heavy Metal Ions of Chromium, Manganese, Selenium, Nickel, Cobalt, Iron from Aqueous Acidic Solutions in Batch and Dynamic Conditions on Natural and Synthetic Aluminosilicate Sorbents

scientific article published on 21 November 2020

Sorption of lead, copper, and cadmium by calcium alginate. Metal binding stoichiometry and the pH effect ⬇️

scientific article published on April 27, 2012

Sorption of metal cations by alginate-based biosorbents. On the correct determination of the thermodynamic parameters ⬇️

scientific article published on November 19, 2011

Spectrofluorimetric and Computational Investigation of New Phthalimide Derivatives towards Human Neutrophil Elastase Inhibition and Antiproliferative Activity

scientific article published on 21 December 2022

Stereoselective binding of agonists to the β2-adrenergic receptor: insights into molecular details and thermodynamics from molecular dynamics simulations.

scientific article published on 24 March 2017

Synthesis of the N-methyl Derivatives of 2-Aminothiazol-4(5H)-one and Their Interactions with 11βHSD1-Molecular Modeling and in Vitro Studies

scientific article published on 06 June 2019

Tautomeric and epimeric equilibria of aldo- and ketohexoses studied by the MD simulations and QM calculations

scientific article published on 11 January 2019

Tautomers of N-acetyl-d-allosamine: an NMR and computational chemistry study

scientific article published in 2021

Tedizolid-Cyclodextrin System as Delayed-Release Drug Delivery with Antibacterial Activity

scientific article published on 24 December 2020

Teicoplanin-Modified HPLC Column as a Source of Experimental Parameters for Prediction of the Anticonvulsant Activity of 1,2,4-Triazole-3-Thiones by the Regression Models

scientific article published on 10 June 2020

The 'order-to-disorder' conformational transition in CD44 protein: an umbrella sampling analysis

scientific article published on 19 August 2013

The dynamics of the calcium-induced chain-chain association in the polyuronate systems

scientific article published on 27 April 2012

The influence of the hexopyranose ring geometry on the conformation of glycosidic linkages investigated using molecular dynamics simulations

scientific article published on 04 August 2015

The systematic influence of solvent on the conformational features of furanosides

scientific article published on 01 February 2019

The water-catalyzed mechanism of the ring-opening reaction of glucose

scientific article published on 30 July 2015

Theoretical models of sorption kinetics including a surface reaction mechanism: a review

scientific article published on 05 August 2009

Tropinone-Derived Alkaloids as Potent Anticancer Agents: Synthesis, Tyrosinase Inhibition, Mechanism of Action, DFT Calculation, and Molecular Docking Studies

scientific article published on 28 November 2020

List of works by Wojciech Plazinski

A GROMOS Force Field for Furanose-Based Carbohydrates

A novel derivatives of thiazol-4(5H)-one and their activity in the inhibition of 11β-hydroxysteroid dehydrogenase type 1

A novel two-resistance model for description of the adsorption kinetics onto porous particles

Acyclic forms of aldohexoses and ketohexoses in aqueous and DMSO solutions: conformational features studied using molecular dynamics simulations

Agonist binding by the β2-adrenergic receptor: an effect of receptor conformation on ligand association-dissociation characteristics

Benzo[b]thiophene-thiazoles as potent anti-Toxoplasma gondii agents: Design, synthesis, tyrosinase/tyrosine hydroxylase inhibitors, molecular docking study, and antioxidant activity

Binding of heavy metals by algal biosorbents. Theoretical models of kinetics, equilibria and thermodynamics.

Binding stoichiometry in sorption of divalent metal ions: a theoretical analysis based on the ion-exchange model.

Calcium-α-L-guluronate complexes: Ca2+ binding modes from DFT-MD simulations

Comparison of Carbohydrate Force Fields in Molecular Dynamics Simulations of Protein–Carbohydrate Complexes

Conformational properties of acidic oligo- and disaccharides and their ability to bind calcium: a molecular modeling study ⬇️

Conformational properties of inulin, levan and arabinan studied by molecular dynamics simulations

Deciphering the conformational preferences of furanosides. A molecular dynamics study

Efficient sampling of high-energy states by machine learning force fields

Equilibrium and kinetic modeling of metal ion biosorption: on the ways of model generalization for the case of multicomponent systems

Extension of the GROMOS 56a6CARBO/CARBO_R Force Field for Charged, Protonated, and Esterified Uronates

Fast, metadynamics-based method for prediction of the stereochemistry-dependent relative free energies of ligand-receptor interactions

Force-induced structural changes in non-sulfated carrageenan based oligosaccharides - a theoretical study

HPLC-DAD Determination of Nitrite and Nitrate in Human Saliva Utilizing a Phosphatidylcholine Column

Heavy metals binding to biosorbents. Insights into Non-competitive models from a simple pH-dependent model

Interactions between CD44 protein and hyaluronan: insights from the computational study

Kinetic characteristics of conformational changes in the hexopyranose rings

Kinetics of dyes adsorption at the solid-solution interfaces: a theoretical description based on the two-step kinetic model

Kinetics of isothermal gas adsorption on heterogeneous solid surfaces: equations based on generalization of the statistical rate theory of interfacial transport

Kinetics of metal ions adsorption at heterogeneous solid/solution interfaces: A theoretical treatment based on statistical rate theory

Kinetics of solute adsorption at solid/aqueous interfaces: searching for the theoretical background of the modified pseudo-first-order kinetic equation

Kinetics of solute adsorption at solid/solution interfaces: a theoretical development of the empirical pseudo-first and pseudo-second order kinetic rate equations, based on applying the statistical rate theory of interfacial transport

Kinetics of solute adsorption at solid/solution interfaces: on the special features of the initial adsorption kinetics.

Ligand-induced action of the W2866.48 rotamer toggle switch in the β2-adrenergic receptor.

Modeling of sorption kinetics: the pseudo-second order equation and the sorbate intraparticle diffusivity

Modeling the effect of pH on kinetics of heavy metal ion biosorption. A theoretical approach based on the statistical rate theory

Modeling the effect of surface heterogeneity in equilibrium of heavy metal ion biosorption by using the ion exchange model

Molecular Structure of Cefuroxime Axetil Complexes with α-, β-, γ-, and 2-Hydroxypropyl-β-Cyclodextrins: Molecular Simulations and Raman Spectroscopic and Imaging Studies ⬇️

Molecular basis of calcium binding by polyguluronate chains. Revising the egg‐box model ⬇️

Novel 2-(Adamantan-1-ylamino)Thiazol-4(5H)-One Derivatives and Their Inhibitory Activity towards 11β-HSD1—Synthesis, Molecular Docking and In Vitro Studies

Pyranose ring conformations in mono- and oligosaccharides: a combined MD and DFT approach.

Pyranose ring puckering in aldopentoses, ketohexoses and deoxyaldohexoses. A molecular dynamics study.

Revision of the GROMOS 56A6(CARBO) force field: Improving the description of ring-conformational equilibria in hexopyranose-based carbohydrates chains

Ring inversion properties of 1→2, 1→3 and 1→6-linked hexopyranoses and their correlation with the conformation of glycosidic linkages

Solid-phase extraction using octadecyl-bonded silica modified with photosynthetic pigments from Spinacia oleracea L. for the preconcentration of lead(II) ions from aqueous samples

Sorption of Heavy Metal Ions of Chromium, Manganese, Selenium, Nickel, Cobalt, Iron from Aqueous Acidic Solutions in Batch and Dynamic Conditions on Natural and Synthetic Aluminosilicate Sorbents

Sorption of lead, copper, and cadmium by calcium alginate. Metal binding stoichiometry and the pH effect ⬇️

Sorption of metal cations by alginate-based biosorbents. On the correct determination of the thermodynamic parameters ⬇️

Spectrofluorimetric and Computational Investigation of New Phthalimide Derivatives towards Human Neutrophil Elastase Inhibition and Antiproliferative Activity

Stereoselective binding of agonists to the β2-adrenergic receptor: insights into molecular details and thermodynamics from molecular dynamics simulations.

Synthesis of the N-methyl Derivatives of 2-Aminothiazol-4(5H)-one and Their Interactions with 11βHSD1-Molecular Modeling and in Vitro Studies

Tautomeric and epimeric equilibria of aldo- and ketohexoses studied by the MD simulations and QM calculations

Tautomers of N-acetyl-d-allosamine: an NMR and computational chemistry study

Tedizolid-Cyclodextrin System as Delayed-Release Drug Delivery with Antibacterial Activity

Teicoplanin-Modified HPLC Column as a Source of Experimental Parameters for Prediction of the Anticonvulsant Activity of 1,2,4-Triazole-3-Thiones by the Regression Models

The 'order-to-disorder' conformational transition in CD44 protein: an umbrella sampling analysis

The dynamics of the calcium-induced chain-chain association in the polyuronate systems

The influence of the hexopyranose ring geometry on the conformation of glycosidic linkages investigated using molecular dynamics simulations

The systematic influence of solvent on the conformational features of furanosides

The water-catalyzed mechanism of the ring-opening reaction of glucose

Theoretical models of sorption kinetics including a surface reaction mechanism: a review

Tropinone-Derived Alkaloids as Potent Anticancer Agents: Synthesis, Tyrosinase Inhibition, Mechanism of Action, DFT Calculation, and Molecular Docking Studies