List of works - Jacek Korchowiec

A Study of the Interaction between a Family of Gemini Amphiphilic Pseudopeptides and Model Monomolecular Film Membranes Formed with a Cardiolipin

scientific article published on 20 May 2015

A new localization scheme for the elongation method

scientific article published on 01 December 2004

Application of explicitly localized molecular orbitals to electronic structure calculations

scientific article published on 01 January 2012

Atomic shell structure from the Single-Exponential Decay Detector

scientific article published in April 2014

Bond detectors for molecular dynamics simulations, Part I: Hydrogen bonds.

scientific article published on 23 July 2013

Calixarenes in a membrane environment: a monolayer study on the miscibility of three p-tert-butylcalix[4]arene beta-lactam derivatives with 1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine

scientific article published in November 2007

Charge distributions for molecular dynamics simulations from self-consistent polarization method

scientific article published on 09 September 2020

Charge sensitivity analysis in force-field-atom resolution.

scientific article published on 3 March 2011

Charge sensitivity approach to mutual polarization of reactants: molecular mechanics perspective

scientific article

Complexation of metal ions in Langmuir films formed with two amphiphilic dioxadithia crown ethers.

scientific article published on 12 August 2008

Congo Red as a Supramolecular Carrier System for Doxorubicin: An Approach to Understanding the Mechanism of Action

scientific article published on 11 August 2022

DFT study on the selectivity of complexation of metal cations with a dioxadithia crown ether ligand

scientific article published in December 2008

Describing electron correlation effects in the framework of the elongation method--elongation-MP2: formalism, implementation and efficiency.

scientific article published in June 2010

Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems

scientific article published on October 2006

Elongation cutoff technique armed with quantum fast multipole method for linear scaling

scientific article published on 01 November 2009

Elongation cutoff technique: low-order scaling SCF method

scientific article published on 2 April 2008

Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers

scientific article published on 30 July 2020

Energy partitioning scheme based on self-consistent method for subsystems: populational space approach

scientific article published on 10 November 2010

Extracting information about chemical bonding from molecular electron densities via single exponential decay detector (SEDD)

scientific article published on 01 January 2013

Fast orbital localization scheme in molecular fragments resolution ⬇️

scientific article published on November 25, 2011

Formation of β-cyclodextrin complexes in an anhydrous environment.

scientific article published on 12 August 2016

Glycolipid–cholesterol monolayers: Towards a better understanding of the interaction between the membrane components ⬇️

scientific article published on July 14, 2011

Impact of Doxorubicin on Self-Organization of Congo Red: Quantum Chemical Calculations and Molecular Dynamics Simulations

scientific article published on 27 July 2020

Intermediate electrostatic field for the elongation method.

scientific article

Intermediate electrostatic field for the generalized elongation method.

scientific article published on 12 March 2015

Lung surfactant monolayer - A good natural barrier against dibenzo-p-dioxins

scientific article published on 18 September 2019

Meloxicam and meloxicam-beta-cyclodextrin complex in model membranes: effects on the properties and enzymatic lipolysis of phospholipid monolayers in relation to anti-inflammatory activity.

scientific article published in February 2009

Mixed DPPC/POPC Monolayers: All-atom Molecular Dynamics Simulations and Langmuir Monolayer Experiments.

scientific article

Modeling Lung Surfactant Interactions with Benzo[a]pyrene

scientific article published on 23 February 2017

Molecular organization of nalidixate conjugated calixarenes in bacterial model membranes probed by molecular dynamics simulation and Langmuir monolayer studies

scientific article published on 02 February 2015

Nucleophilic properties of purine bases: inherent reactivity versus reaction conditions

Revealing the bonding pattern from the molecular electron density using single exponential decay detector: an orbital-free alternative to the electron localization function

scientific article published on 24 July 2012

Structure - membrane activity relationship in a family of peptide-based gemini amphiphiles: An insight from experimental and theoretical model systems.

scientific article

The impact of lipid oxidation on the functioning of a lung surfactant model

scientific article published on 01 October 2018

The mechanism of metal cation binding in two nalidixate calixarene conjugates. A langmuir film and molecular modeling study

scientific article published on August 2010

The role of DPPG in lung surfactant exposed to benzo[a]pyrene

scientific article published on 01 March 2019

The selective interactions of cationic tetra-p-guanidinoethylcalix[4]arene with lipid membranes: theoretical and experimental model studies

scientific article published on 01 January 2016

Two antibacterial nalidixate calixarene derivatives in cholesterol monolayers: Molecular dynamics and physicochemical effects.

scientific article published on 28 May 2016

List of works by Jacek Korchowiec

A Study of the Interaction between a Family of Gemini Amphiphilic Pseudopeptides and Model Monomolecular Film Membranes Formed with a Cardiolipin

A new localization scheme for the elongation method

Application of explicitly localized molecular orbitals to electronic structure calculations

Atomic shell structure from the Single-Exponential Decay Detector

Bond detectors for molecular dynamics simulations, Part I: Hydrogen bonds.

Calixarenes in a membrane environment: a monolayer study on the miscibility of three p-tert-butylcalix[4]arene beta-lactam derivatives with 1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine

Charge distributions for molecular dynamics simulations from self-consistent polarization method

Charge sensitivity analysis in force-field-atom resolution.

Charge sensitivity approach to mutual polarization of reactants: molecular mechanics perspective

Complexation of metal ions in Langmuir films formed with two amphiphilic dioxadithia crown ethers.

Congo Red as a Supramolecular Carrier System for Doxorubicin: An Approach to Understanding the Mechanism of Action

DFT study on the selectivity of complexation of metal cations with a dioxadithia crown ether ligand

Describing electron correlation effects in the framework of the elongation method--elongation-MP2: formalism, implementation and efficiency.

Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems

Elongation cutoff technique armed with quantum fast multipole method for linear scaling

Elongation cutoff technique: low-order scaling SCF method

Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers

Energy partitioning scheme based on self-consistent method for subsystems: populational space approach

Extracting information about chemical bonding from molecular electron densities via single exponential decay detector (SEDD)

Fast orbital localization scheme in molecular fragments resolution ⬇️

Formation of β-cyclodextrin complexes in an anhydrous environment.

Glycolipid–cholesterol monolayers: Towards a better understanding of the interaction between the membrane components ⬇️

Impact of Doxorubicin on Self-Organization of Congo Red: Quantum Chemical Calculations and Molecular Dynamics Simulations

Intermediate electrostatic field for the elongation method.

Intermediate electrostatic field for the generalized elongation method.

Lung surfactant monolayer - A good natural barrier against dibenzo-p-dioxins

Meloxicam and meloxicam-beta-cyclodextrin complex in model membranes: effects on the properties and enzymatic lipolysis of phospholipid monolayers in relation to anti-inflammatory activity.

Mixed DPPC/POPC Monolayers: All-atom Molecular Dynamics Simulations and Langmuir Monolayer Experiments.

Modeling Lung Surfactant Interactions with Benzo[a]pyrene

Molecular organization of nalidixate conjugated calixarenes in bacterial model membranes probed by molecular dynamics simulation and Langmuir monolayer studies

Nucleophilic properties of purine bases: inherent reactivity versus reaction conditions

Revealing the bonding pattern from the molecular electron density using single exponential decay detector: an orbital-free alternative to the electron localization function

Structure - membrane activity relationship in a family of peptide-based gemini amphiphiles: An insight from experimental and theoretical model systems.

The impact of lipid oxidation on the functioning of a lung surfactant model

The mechanism of metal cation binding in two nalidixate calixarene conjugates. A langmuir film and molecular modeling study

The role of DPPG in lung surfactant exposed to benzo[a]pyrene

The selective interactions of cationic tetra-p-guanidinoethylcalix[4]arene with lipid membranes: theoretical and experimental model studies

Two antibacterial nalidixate calixarene derivatives in cholesterol monolayers: Molecular dynamics and physicochemical effects.