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1

Steric and Electronic Effects in the Host−Guest Hydrogen Bonding in Clathrate Hydrates

Kulig, Waldemar, Kubisiak, Piotr, Cwiklik, Lukasz

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.56 MB

english, 2011

2

Reactivity of a sodium atom in vibrationally excited water clusters: An ab initio molecular dynamics study

Lukasz Cwiklik, Piotr Kubisiak, Waldemar Kulig, Pavel Jungwirth

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 284 KB

english, 2008

3

Vibronic coupling in Frenkel and charge-transfer states of oligothiophene crystals

Anna Stradomska, Waldemar Kulig, Piotr Petelenz

Journal:

physica status solidi (b)

Year:

2011

Language:

english

File:

PDF, 194 KB

english, 2011

4

Absorption profile and femtosecond intraband relaxation of the intense upper Davydov component in oligothiophenes

Piotr Petelenz, Waldemar Kulig

Journal:

physica status solidi (b)

Year:

2011

Language:

english

File:

PDF, 130 KB

english, 2011

5

Unusual features of the quaterthiophene electro-absorption spectrum

Piotr Petelenz, Michał Slawik, Waldemar Kulig

Journal:

physica status solidi (c)

Year:

2009

Language:

english

File:

PDF, 101 KB

english, 2009

6

Unbound exciton–phonon states in oligothiophene crystals – A model approach for spectroscopic purposes

Piotr Petelenz, Waldemar Kulig

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 192 KB

english, 2008

7

Excited-state polarizability in crystalline sexithiophene: Charge-transfer and vibronic effects

Anna Stradomska, Waldemar Kulig, Michał Slawik, Piotr Petelenz

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 269 KB

english, 2012

8

A ‘clusters-in-liquid’ method for calculating infrared spectra identifies the proton-transfer mode in acidic aqueous solutions

Kulig, Waldemar, Agmon, Noam

Journal:

Nature Chemistry

Year:

2012

Language:

english

File:

PDF, 1.02 MB

english, 2012

9

Both Zundel and Eigen Isomers Contribute to the IR Spectrum of the Gas-Phase H 9 O 4+ Cluster

Kulig, Waldemar, Agmon, Noam

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 2.59 MB

english, 2014

10

How well does cholesteryl hemisuccinate mimic cholesterol in saturated phospholipid bilayers?

Kulig, Waldemar, Tynkkynen, Joona, Javanainen, Matti, Manna, Moutusi, Rog, Tomasz, Vattulainen, Ilpo, Jungwirth, Pavel

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 810 KB

english, 2014

11

Deciphering the infrared spectrum of the protonated water pentamer and the hybrid Eigen–Zundel cation

Kulig, Waldemar, Agmon, Noam

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.61 MB

english, 2014

12

Experimental determination and computational interpretation of biophysical properties of lipid bilayers enriched by cholesteryl hemisuccinate

Kulig, Waldemar, Jurkiewicz, Piotr, Olżyńska, Agnieszka, Tynkkynen, Joona, Javanainen, Matti, Manna, Moutusi, Rog, Tomasz, Hof, Martin, Vattulainen, Ilpo, Jungwirth, Pavel

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2015

Language:

english

File:

PDF, 2.44 MB

english, 2015

13

Spectral shape of intense exciton absorption in oligothiophene crystals

Kulig, Waldemar, Petelenz, Piotr

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 272 KB

english, 2009

14

Intraband relaxation of Frenkel excitons in sexithiophene crystals

Petelenz, Piotr, Kulig, Waldemar

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 291 KB

english, 2009

15

Cholesterol under oxidative stress—How lipid membranes sense oxidation as cholesterol is being replaced by oxysterols

Kulig, Waldemar, Olżyńska, Agnieszka, Jurkiewicz, Piotr, Kantola, Anu M., Komulainen, Sanna, Manna, Moutusi, Pourmousa, Mohsen, Vazdar, Mario, Cwiklik, Lukasz, Rog, Tomasz, Khelashvili, George, Harrie

Journal:

Free Radical Biology and Medicine

Year:

2015

Language:

english

File:

PDF, 2.41 MB

english, 2015

16

How To Minimize Artifacts in Atomistic Simulations of Membrane Proteins, Whose Crystal Structure Is Heavily Engineered: β 2 -Adrenergic Receptor in the Spotlight

Manna, Moutusi, Kulig, Waldemar, Javanainen, Matti, Tynkkynen, Joona, Hensen, Ulf, Müller, Daniel J., Rog, Tomasz, Vattulainen, Ilpo

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 9.11 MB

english, 2015

17

Cis and Trans Unsaturated Phosphatidylcholine Bilayers: A Molecular Dynamics Simulation Study

Kulig, Waldemar, Pasenkiewicz-Gierula, Marta, Róg, T.

Journal:

Chemistry and Physics of Lipids

Year:

2015

Language:

english

File:

PDF, 1.56 MB

english, 2015

18

Effect of Phosphatidic Acid on Biomembrane: Experimental and Molecular Dynamics Simulations Study

Kwolek, Urszula, Kulig, Waldemar, Wydro, Paweł, Nowakowska, Maria, Róg, Tomasz, Kepczynski, Mariusz

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 2.63 MB

english, 2015

19

A sodium atom in a large water cluster: Electron delocalization and infrared spectra

Cwiklik, Lukasz, Buck, Udo, Kulig, Waldemar, Kubisiak, Piotr, Jungwirth, Pavel

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.60 MB

english, 2008

20

Topologies, structures and parameter files for lipid simulations in GROMACS with the OPLS-aa force field: DPPC, POPC, DOPC, PEPC, and cholesterol

Kulig, Waldemar, Pasenkiewicz-Gierula, Marta, Róg, Tomasz

Journal:

Year:

2015

Language:

english

File:

PDF, 279 KB

english, 2015

21

Towards Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions

Botan, Alexandru, Fernando, Favela, Fuchs, Patrick François,Jimi, Javanainen, Matti, Kanduc, Matej, Kulig, Waldemar, Lamberg, Antti, Loison, Claire, Lyubartsev, Alexander P., Miettinen, Markus Sakari,

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 1.49 MB

english, 2015

22

Cholesterol oxidation products and their biological importance

Kulig, Waldemar, Cwiklik, Lukasz, Jurkiewicz, Piotr, Rog, Tomasz, Vattulainen, Ilpo

Journal:

Chemistry and Physics of Lipids

Year:

2016

Language:

english

File:

PDF, 2.94 MB

english, 2016

23

Oxidation of Cholesterol Changes the Physical Properties of Lipid Membranes

Kulig, Waldemar, Olzynska, Agnieszka, Jurkiewicz, Piotr, Kantola, Anu M., Manna, Moutusi, Pourmousa, Mohsen, Vazdar, Mario, Cwiklik, Lukasz, Rog, Tomasz, Khelashvili, George, Harries, Daniel, Telkki,

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 46 KB

english, 2016

24

Protocol to Avoid Possible Artifacts in Atomistic Simulation of GPCR Proteins whose Crystal Structure is Heavily Engineered

Manna, Moutusi, Kulig, Waldemar, Javanainen, Matti, Tynkkynen, Joona, Hensen, Ulf, Müller, Daniel J., Rog, Tomasz, Vattulainen, Ilpo

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 44 KB

english, 2016

25

Oxidation of Cholesterol Changes the Permeability of Lipid Membranes

Kulig, Waldemar T., Mikkolainen, Heikki, Olzynska, Agnieszka, Jurkiewicz, Piotr, Cwiklik, Lukasz, Rog, Tomasz, Hof, Martin, Vattulainen, Ilpo, Jungwirth, Pavel

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 44 KB

english, 2017

26

The Effect of Membrane Polyunsaturated Fatty Acids on Receptor Partitioning to Ordered Domains

Javanainen, Matti, Enkavi, Giray, Guixa-Gonzalez, Ramon, Kulig, Waldemar, Martinez-Seara, Hector, Vattulainen, Ilpo

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 64 KB

english, 2017

27

Molecular Dynamics Insights into Water-parylene C Interface – Relevance of Oxygen Plasma Treatment for Biocompatibility

Golda-Cepa, Monika, Kulig, Waldemar, Cwiklik, Lukasz, Kotarba, Andrzej

Journal:

ACS Applied Materials & Interfaces

Year:

2017

Language:

english

File:

PDF, 3.80 MB

english, 2017

28

Oxysterols Versus Cholesterol in Model Neuronal Membrane. I. The Case of 7-Ketocholesterol. The Langmuir Monolayer Study

Wnętrzak, Anita, Makyła-Juzak, Katarzyna, Filiczkowska, Anna, Kulig, Waldemar, Dynarowicz-Łątka, Patrycja

Journal:

Journal of Membrane Biology

Year:

2017

Language:

english

File:

PDF, 1.95 MB

english, 2017

29

Bobbing of Oxysterols: Molecular Mechanism for Translocation of Tail-Oxidized Sterols through Biological Membranes

Kulig, Waldemar, Mikkolainen, Heikki, Olzynska, Agnieszka, Jurkiewicz, Piotr, Cwiklik, Lukasz, Hof, Martin, Vattulainen, Ilpo, Jungwirth, Pavel, Rog, Tomasz

Journal:

The Journal of Physical Chemistry Letters

Year:

2018

Language:

english

File:

PDF, 747 KB

english, 2018

30

Cholesterol Protects the Oxidized Lipid Bilayer from Water Injury: An All-Atom Molecular Dynamics Study

Owen, Michael C., Kulig, Waldemar, Rog, Tomasz, Vattulainen, Ilpo, Strodel, Birgit

Journal:

Journal of Membrane Biology

Year:

2018

Language:

english

File:

PDF, 3.48 MB

english, 2018

31

Oxysterol Translocation through Lipid Bilayers

Kulig, Waldemar, Mikkolainen, Heikki, Olzynska, Agnieszka, Jurkiewicz, Piotr, Cwiklik, Lukasz, Rog, Tomasz, Hof, Martin, Jungwirth, Pavel, Vattulainen, Ilpo

Journal:

Biophysical Journal

Year:

2018

Language:

english

File:

PDF, 44 KB

english, 2018

32

Physiologically-relevant levels of sphingomyelin, but not GM1, induces a β-sheet-rich structure in the amyloid-β(1-42) monomer

Owen, Michael C., Kulig, Waldemar, Poojari, Chetan, Rog, Tomasz, Strodel, Birgit

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2018

Language:

english

File:

PDF, 2.44 MB

english, 2018

33

Intermediate vibronic coupling in charge transfer states: Comprehensive calculation of electronic excitations in sexithiophene crystal

Stradomska, Anna, Kulig, Waldemar, Slawik, Michał, Petelenz, Piotr

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 677 KB

english, 2011

34

How to minimize dye-induced perturbations while studying biomembrane structure and dynamics: PEG linkers as a rational alternative

Mobarak, Edouard, Javanainen, Matti, Kulig, Waldemar, Honigmann, Alf, Sezgin, Erdinc, Aho, Noora, Eggeling, Christian, Rog, Tomasz, Vattulainen, Ilpo

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2018

Language:

english

File:

PDF, 1.19 MB

english, 2018

35

The Role of Hydrophobic Mismatch on Transmembrane Helix Dimerization in Living Cells

Grau, Brayan, Javanainen, Matti, Jesús García-Murria, Maria, Kulig, Waldemar, Vattulainen, Ilpo, Mingarro, Ismael, Martínez-Gil, Luis

Journal:

Biophysical Journal

Year:

2019

Language:

english

File:

PDF, 50 KB

english, 2019

36

Complex Behavior of Phosphatidylcholine – Phosphatidic Acid Bilayers and Monolayers: Effect of Acyl Chain Unsaturation

Kulig, Waldemar, Korolainen, Hanna, Zatorska, Maria, Kwolek, Urszula, Wydro, Pawel, Kepczynski, Mariusz, Rog, Tomasz

Journal:

Year:

2019

File:

PDF, 5.70 MB

2019

37

Complex Behavior of Phosphatidylcholine – Phosphatidic Acid Bilayers and Monolayers: Effect of Acyl Chain Unsaturation

Kulig, Waldemar, Korolainen, Hanna, Zatorska, Maria, Kwolek, Urszula, Wydro, Pawel, Kepczynski, Mariusz, Rog, Tomasz

Journal:

Year:

2019

Language:

english

File:

PDF, 5.70 MB

english, 2019

38

Reduced level of docosahexaenoic acid shifts GPCR neuroreceptors to less ordered membrane regions

Javanainen, Matti, Enkavi, Giray, Guixà-Gonzaléz, Ramon, Kulig, Waldemar, Martinez-Seara, Hector, Levental, Ilya, Vattulainen, Ilpo, de Groot, Bert L.

Journal:

PLoS Computational Biology

Year:

2019

Language:

english

File:

PDF, 7.35 MB

english, 2019

39

Functionalization of parylene C surface enhances nucleation of calcium phosphate: combined experimental and molecular dynamics simulations approach

Golda-Cepa, Monika, Riedlova, Kamila, Kulig, Waldemar, Cwiklik, Lukasz, Kotarba, Andrzej

Journal:

ACS Applied Materials & Interfaces

Year:

2020

Language:

english

File:

PDF, 1.82 MB

english, 2020

40

Tail-Oxidized Cholesterol Enhances Membrane Permeability for Small Solutes

OlÅ¼yÅska, Agnieszka, Kulig, Waldemar, Mikkolainen, Heikki, Czerniak, Tomasz, Jurkiewicz, Piotr, Cwiklik, Lukasz, Rog, Tomasz, Hof, Martin, Jungwirth, Pavel, Vattulainen, Ilpo

Journal:

Year:

2020

File:

PDF, 2.29 MB

2020

41

Rigorous computational study reveals what docking overlooks: Double trouble from membrane association in protein kinase C modulators

Lautala, Saara, Provenzani, Riccardo, Koivuniemi, Artturi, Kulig, Waldemar, Talman, Virpi, Rog, Tomasz, Tuominen, Raimo K, Yli-Kauhaluoma, Jari, Bunker, Alex

Journal:

Journal of Chemical Information and Modeling

Year:

2020

File:

PDF, 14.23 MB

2020

42

Mcl-1 and Bok transmembrane domains: Unexpected players in the modulation of apoptosis

Lucendo, EstefanÃa, Sancho, MÃ³nica, Lolicato, Fabio, Javanainen, Matti, Kulig, Waldemar, Leiva, Diego, Duart, Gerard, Andreu-FernÃ¡ndez, Vicente, Mingarro, Ismael, OrzÃ¡ez, Mar

Journal:

Proceedings of the National Academy of Sciences

Year:

2020

File:

PDF, 1.65 MB

2020

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