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51

Geometry optimization for large systems by the elongation method

Liu, Kai, Inerbaev, Talgat, Korchowiec, Jacek, Gu, Feng Long, Aoki, Yuriko

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2012

Language:

english

File:

PDF, 282 KB

english, 2012

52

Generalized charge sensitivity analysis

Anna Stachowicz, Jacek Korchowiec

Journal:

Structural Chemistry

Year:

2012

Language:

english

File:

PDF, 561 KB

english, 2012

53

Meloxicam and Meloxicam-β-Cyclodextrin Complex in Model Membranes: Effects on the Properties and Enzymatic Lipolysis of Phospholipid Monolayers in Relation to Anti-inflammatory Activity

Wiȩcław, Katarzyna, Korchowiec, Beata, Corvis, Yohann, Korchowiec, Jacek, Guermouche, Hassan, Rogalska, Ewa

Journal:

Year:

2009

Language:

english

File:

PDF, 1.80 MB

english, 2009

54

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

Anna Stachowicz, Marek Rogalski, Jacek Korchowiec

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 855 KB

english, 2013

55

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

Stachowicz, Anna, Korchowiec, Jacek

Journal:

Journal of Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 1.16 MB

english, 2013

56

A Langmuir monolayer study of the action of phospholipase A2 on model phospholipid and mixed phospholipid-GM1 ganglioside membranes

Schulte, Wiebke, Orlof, Monika, Brand, Izabella, Korchowiec, Beata, Rogalska, Ewa

Journal:

Colloids and Surfaces B: Biointerfaces

Year:

2014

Language:

english

File:

PDF, 659 KB

english, 2014

57

Complexation of Metal Ions in Langmuir Films Formed with Two Amphiphilic Dioxadithia Crown Ethers

Corvis, Yohann, Korchowiec, Beata, Korchowiec, Jacek, Badis, Mounia, Mironiuk-Puchalska, Ewa, Fokt, Izabela, Priebe, Waldemar, Rogalska, Ewa

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 1.75 MB

english, 2008

58

Intermediate electrostatic field for the elongation method

Kuźniarowicz, Piotr, Liu, Kai, Aoki, Yuriko, Gu, Feng Long, Stachowicz, Anna, Korchowiec, Jacek

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 414 KB

english, 2014

59

Forces that Control pH-Dependent Aggregation of Nonionic Glycolipid Vesicles

Korchowiec, Beata M., Baba, Teruhiko, Minamikawa, Hiroyuki, Hato, Masakatsu

Journal:

Year:

2001

Language:

english

File:

PDF, 107 KB

english, 2001

60

Differentiating Oxicam Nonsteroidal Anti-Inflammatory Drugs in Phosphoglyceride Monolayers

Czapla, Katarzyna, Korchowiec, Beata, Rogalska, Ewa

Journal:

Year:

2010

Language:

english

File:

PDF, 3.00 MB

english, 2010

61

Interfacial Approach to Polyaromatic Hydrocarbon Toxicity: Phosphoglyceride and Cholesterol Monolayer Response to Phenantrene, Anthracene, Pyrene, Chrysene, and Benzo[a]pyrene

Korchowiec, Beata, Corvis, Yohann, Viitala, Tapani, Feidt, Cyril, Guiavarch, Yann, Corbier, Catherine, Rogalska, Ewa

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 4.61 MB

english, 2008

62

Density Functional Study of Addition of Fluoromethyl Radicals to Fluoroethylenes: Estimation of Activation Energies

Korchowiec, Jacek, Uchimaru, Tadafumi

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 46 KB

english, 1998

63

Hydrogen Abstraction from Methane and Hydrofluoromethanes by • OH Radical: Modified GAUSSIAN-2 Study

Korchowiec, Jacek, Kawahara, Shun-ichi, Matsumura, Kazunari, Uchimaru, Tadafumi, Sugie, Masaaki

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 72 KB

english, 1999

64

Impact of Aluminum on the Oxidation of Lipids and Enzymatic Lipolysis in Monomolecular Films at the Air/Water Interface

Corvis, Yohann, Korchowiec, Beata, Brezesinski, Gerald, Follot, Sébastien, Rogalska, Ewa

Journal:

Year:

2007

Language:

english

File:

PDF, 776 KB

english, 2007

65

The Charge Transfer Fukui Function: Extension of the Finite-Difference Approach to Reactive Systems

Korchowiec, Jacek, Uchimaru, Tadafumi

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 96 KB

english, 1998

66

Mechanism of Addition of Fluoromethyl Radicals to Fluoroethylenes

Korchowiec, Jacek, Uchimaru, Tadafumi

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 94 KB

english, 1998

67

Calixarenes in a Membrane Environment: A Monolayer Study on the Miscibility of Three p - tert -Butylcalix[4]arene β-Lactam Derivatives with 1,2-Dimyristoyl- sn -glycero-3-phosphoethanolamine

Korchowiec, Beata, Salem, Adel Ben, Corvis, Yohann, Korchowiec, Jacek, Rogalska, Ewa

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 663 KB

english, 2007

68

Atomic shell structure from the Single-Exponential Decay Detector

de Silva, Piotr, Korchowiec, Jacek, Wesolowski, Tomasz A.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 586 KB

english, 2014

69

New energy partitioning scheme based on the self-consistent charge and configuration method for subsystems: Application to water dimer system

Korchowiec, Jacek, Uchimaru, Tadafumi

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 371 KB

english, 2000

70

A new localization scheme for the elongation method

Gu, Feng Long, Aoki, Yuriko, Korchowiec, Jacek, Imamura, Akira, Kirtman, Bernard

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 341 KB

english, 2004

71

Molecular Organization of Nalidixate Conjugated Calixarenes in Bacterial Model Membranes Probed by Molecular Dynamics Simulation and Langmuir Monolayer Studies

Korchowiec, Beata, Korchowiec, Jacek, Gorczyca, Marcelina, Regnouf de Vains, Jean-Bernard, Rogalska, Ewa

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 8.18 MB

english, 2015

72

Impact of two different saponins on the organization of model lipid membranes

Korchowiec, Beata, Gorczyca, Marcelina, Wojszko, Kamila, Janikowska, Maria, Henry, Max, Rogalska, Ewa

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2015

Language:

english

File:

PDF, 2.25 MB

english, 2015

73

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

Gorczyca, Marcelina, Korchowiec, Beata, Korchowiec, Jacek, Trojan, Sonia, Rubio-Magnieto, Jenifer, Luis, Santiago V., Rogalska, Ewa

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 6.33 MB

english, 2015

74

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

Korchowiec, Beata, Gorczyca, Marcelina, Rogalska, Ewa, Regnouf-de-Vains, Jean-Bernard, Mourer, Maxime, Korchowiec, Jacek

Journal:

Year:

2015

Language:

english

File:

PDF, 4.00 MB

english, 2015

75

Extracting Information about Chemical Bonding from Molecular Electron Densities via Single Exponential Decay Detector (SEDD)

de Silva, Piotr, Korchowiec, Jacek, Ram J. S., Nirmal, Wesolowski, Tomasz A.

Journal:

CHIMIA International Journal for Chemistry

Year:

2013

Language:

english

File:

PDF, 229 KB

english, 2013

76

Two Antibacterial Nalidixate Calixarene Derivatives in Cholesterol Monolayers: Molecular Dynamics and Physicochemical Effects

Korchowiec, Beata, Korchowiec, Jacek, Orlof, Monika, de Vains, Jean-Bernard Regnouf, Rogalska, Ewa

Journal:

Colloids and Surfaces B: Biointerfaces

Year:

2016

Language:

english

File:

PDF, 633 KB

english, 2016

77

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

Korchowiec, Beata, Gorczyca, Marcelina, Korchowiec, Jacek, Rubio-Magnieto, Jenifer, Lotfallah, Ahmed H., Luis, Santiago V., Rogalska, Ewa

Journal:

Colloids and Surfaces B: Biointerfaces

Year:

2016

Language:

english

File:

PDF, 3.42 MB

english, 2016

78

Application of Explicitly Localized Molecular Orbitals to Electronic Structure Calculations

de Silva, Piotr, Makowski, Marcin, Korchowiec, Jacek

Journal:

CHIMIA International Journal for Chemistry

Year:

2012

Language:

english

File:

PDF, 208 KB

english, 2012

79

Intermediate Electrostatic Field for the Generalized Elongation Method

Liu, Kai, Korchowiec, Jacek, Aoki, Yuriko

Journal:

Year:

2015

Language:

english

File:

PDF, 982 KB

english, 2015

80

Nanoscale investigation of the interaction of colistin with model phospholipid membranes by Langmuir technique, and combined infrared and force spectroscopies

Freudenthal, Oona, Quilès, Fabienne, Francius, Grégory, Wojszko, Kamila, Gorczyca, Marcelina, Korchowiec, Beata, Rogalska, Ewa

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2016

Language:

english

File:

PDF, 1.76 MB

english, 2016

81

Formation of β-cyclodextrin complexes in an anhydrous environment

Sifaoui, Hocine, Modarressi, Ali, Magri, Pierre, Stachowicz-Kuśnierz, Anna, Korchowiec, Jacek, Rogalski, Marek

Journal:

Journal of Molecular Modeling

Year:

2016

Language:

english

File:

PDF, 2.12 MB

english, 2016

82

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

Olżyńska, Agnieszka, Zubek, Michal, Roeselova, Martina, Korchowiec, Jacek, Cwiklik, Lukasz

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2016

Language:

english

File:

PDF, 2.22 MB

english, 2016

83

Modeling Lung Surfactant Interactions with Benzo[a]pyrene

Stachowicz-Kuśnierz, Anna, Trojan, Sonia, Cwiklik, Lukasz, Korchowiec, Beata, Korchowiec, Jacek

Journal:

Chemistry - A European Journal

Year:

2017

Language:

english

File:

PDF, 1.83 MB

english, 2017

84

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

Stachowicz-Kuśnierz, A., Cwiklik, L., Korchowiec, J., Rogalska, E., Korchowiec, B.

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.38 MB

english, 2018

85

Ab initio calculations of F-H-Br system with linear geometry

Babyuk, Dmytro, Korchowiec, Jacek, Motovylina, Yaryna

Journal:

Current Chemistry Letters

Year:

2016

Language:

english

File:

PDF, 576 KB

english, 2016

86

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

Korchowiec, Beata, Stachowicz-Kuśnierz, Anna, Korchowiec, Jacek

Journal:

Environmental Science: Processes & Impacts

Year:

2019

File:

PDF, 1.99 MB

2019

87

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

Korchowiec, Beata, Stachowicz-Kuśnierz, Anna, Korchowiec, Jacek

Journal:

Environmental Science: Processes & Impacts

Year:

2019

Language:

english

File:

PDF, 1.99 MB

english, 2019

88

The effect of the peptide based gemini amphiphiles protonation on the interaction in Langmuir films

Korchowiec, Beata, Gorczyca, Marcelina, Korchowiec, Jacek, Rubio-Magnieto, Jenifer, Lotfallah, Ahmed H., Luis, Santiago V., Rogalska, Ewa

Journal:

Journal of Molecular Liquids

Year:

2019

Language:

english

File:

PDF, 1.56 MB

english, 2019

89

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

Stachowicz-Kuśnierz, Anna, Seidler, Tomasz, Rogalska, Ewa, Korchowiec, Jacek, Korchowiec, Beata

Journal:

Year:

2020

Language:

english

File:

PDF, 1.60 MB

english, 2020

90

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

Stachowicz-Kuśnierz, Anna, Seidler, Tomasz, Rogalska, Ewa, Korchowiec, Jacek, Korchowiec, Beata

Journal:

Year:

2020

File:

PDF, 1.60 MB

2020

91

Properties of Lipid Models of Lung Surfactant Containing Cholesterol and Oxidized Lipids: a Mixed Experimental and Computational Study

Olzynska, Agnieszka, Delcroix, Pauline, Dolejšová, Tereza, Krzaczek, Karolina, Korchowiec, Beata, Czogalla, Aleksander, Cwiklik, Lukasz

Journal:

Year:

2020

File:

PDF, 1.28 MB

2020

92

A way to introducing a hydrophilic bioactive agent into model lipid membranes. The role of cetyl palmitate in the interaction of curcumin with 1,2-dioleoyl-sn-glycero-3-phosphatidylcholine monolayers

Girardon, Maxime, Korchowiec, Beata, Korchowiec, Jacek, Rogalska, Ewa, Canilho, Nadia, Pasc, Andreea

Journal:

Journal of Molecular Liquids

Year:

2020

File:

PDF, 3.94 MB

2020

93

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

Mashkovtsev, Denis, Mizukami, Wataru, Korchowiec, Jacek, StachowiczâKuÅnierz, Anna, Aoki, Yuriko

Journal:

Journal of Computational Chemistry

Year:

2020

File:

PDF, 2.20 MB

2020

94

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

KwieciÅska, Klaudia, Stachowicz-KuÅnierz, Anna, Jagusiak, Anna, Roterman, Irena, Korchowiec, Jacek

Journal:

Year:

2020

File:

PDF, 3.00 MB

2020

95

Elongation method for linear scaling SCF calculations of polymers

Korchowiec, Jacek, Gu, Feng Long, Aoki, Yuriko

Journal:

Journal of Computational Methods in Sciences and Engineering

Year:

2006

File:

PDF, 104 KB

2006