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1

Making Watson fast

Epstein, E. A., Schor, M. I., Iyer, B. S., Lally, A., Brown, E. W., Cwiklik, J.

Journal:

IBM Journal of Research and Development

Year:

2012

Language:

english

File:

PDF, 3.31 MB

english, 2012

2

Electron Binding Energies of Hydrated H 3 O + and OH - : Photoelectron Spectroscopy of Aqueous Acid and Base Solutions Combined with Electronic Structure Calculations

Winter, Bernd, Faubel, Manfred, Hertel, Ingolf V., Pettenkofer, Christian, Bradforth, Stephen E., Jagoda-Cwiklik, Barbara, Cwiklik, Lukasz, Jungwirth, Pavel

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 78 KB

english, 2006

3

Lipid hydration and mobility: An interplay between fluorescence solvent relaxation experiments and molecular dynamics simulations

P. Jurkiewicz, L. Cwiklik, P. Jungwirth, M. Hof

Journal:

Year:

2012

Language:

english

File:

PDF, 672 KB

english, 2012

4

GPU-Based Massive Parallel Kawasaki Kinetics in the Dynamic Monte Carlo Simulations of Lipid Nanodomains

Lis, Mateusz, Pintal, Lukasz, Swiatek, Jerzy, Cwiklik, Lukasz

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 4.41 MB

english, 2012

5

Absorption and Fluorescence of PRODAN in Phospholipid Bilayers: A Combined Quantum Mechanics and Classical Molecular Dynamics Study

Cwiklik, Lukasz, Aquino, Adelia J. A., Vazdar, Mario, Jurkiewicz, Piotr, Pittner, Jiří, Hof, Martin, Lischka, Hans

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.56 MB

english, 2011

6

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

7

Charybdotoxin Unbinding from the m Kv1.3 Potassium Channel: A Combined Computational and Experimental Study

Khabiri, Morteza, Nikouee, Azadeh, Cwiklik, Lukasz, Grissmer, Stephan, Ettrich, Rüdiger

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 4.56 MB

english, 2011

8

Segregation of Inorganic Ions at Surfaces of Polar Nonaqueous Liquids

Lukasz Cwiklik, Gunther Andersson, Liem X. Dang, Pavel Jungwirth

Journal:

Year:

2007

Language:

english

File:

PDF, 419 KB

english, 2007

9

Micro-Hydration of the MgNO3+ Cation in the Gas Phase

Barbara Jagoda-Cwiklik, Pavel Jungwirth, Lubomír Rulíšek, Petr Milko, Jana Roithová, Joël Lemaire, Philippe Maitre, Jean Michel Ortega, Detlef Schröder

Journal:

Year:

2007

Language:

english

File:

PDF, 353 KB

english, 2007

10

Theoretical study of the influence of confinement and channel blocking on adsorption and diffusion of n-butane in silicalite-1

Barbara Jagoda-Cwiklik, Lukasz Cwiklik, Marek Frankowicz

Journal:

Applied Surface Science

Year:

2005

Language:

english

File:

PDF, 294 KB

english, 2005

11

Influence of the spacing between metal particles on the kinetics of reaction with spillover on the supported metal catalyst

Lukasz Cwiklik, Barbara Jagoda-Cwiklik, Marek Frankowicz

Journal:

Applied Surface Science

Year:

2005

Language:

english

File:

PDF, 141 KB

english, 2005

12

Coarse grain simulations of the influence of adsorbate–adsorbate interactions on adsorption and diffusion of n-butane in silicalite-1

Barbara Jagoda-Cwiklik, Lukasz Cwiklik

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 412 KB

english, 2007

13

Influence of surface diffusion on catalytic reactivity of spatially inhomogeneous surfaces – mean-field modeling

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 358 KB

english, 2007

14

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

15

Microsolvation of the acetate anion [, n = 1–3]: A photoelectron spectroscopy and ab initio computational study

Xue-Bin Wang, Barbara Jagoda-Cwiklik, Chaoxian Chi, Xiao-Peng Xing, Mingfei Zhou, Pavel Jungwirth, Lai-Sheng Wang

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 241 KB

english, 2009

16

Massive oxidation of phospholipid membranes leads to pore creation and bilayer disintegration

Lukasz Cwiklik, Pavel Jungwirth

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 799 KB

english, 2010

17

Influence of spatial distribution of active centers on the kinetics of model heterogeneous catalytic processes

Lukasz Cwiklik, Barbara Jagoda-Cwiklik, Marek Frankowicz

Journal:

Surface Science

Year:

2004

Language:

english

File:

PDF, 490 KB

english, 2004

18

Hofmeister series and specific interactions of charged headgroups with aqueous ions

Nina Vlachy, Barbara Jagoda-Cwiklik, Robert Vácha, Didier Touraud, Pavel Jungwirth, Werner Kunz

Journal:

Advances in Colloid and Interface Science

Year:

2009

Language:

english

File:

PDF, 918 KB

english, 2009

19

Hindering of rotational motion of guest molecules in the Type I clathrate hydrate

Lukasz Cwiklik, J. Paul Devlin

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 1021 KB

english, 2010

20

Simulations of temperature programmed desorption spectra from porous surface

B. Jagoda-Cwiklik, L. Cwiklik, M. Frankowicz

Journal:

Applied Surface Science

Year:

2003

Language:

english

File:

PDF, 130 KB

english, 2003

21

Dielectric Interpretation of Specificity of Ion Pairing in Water

Lund, Mikael, Jagoda-Cwiklik, Barbara, Woodward, Clifford E., Vácha, Robert, Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 1.14 MB

english, 2010

22

Properties of oxidized phospholipid monolayers: An atomistic molecular dynamics study

Morteza Khabiri, Martina Roeselova, Lukasz Cwiklik

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 951 KB

english, 2012

23

Structure, dynamics, and hydration of POPC/POPS bilayers suspended in NaCl, KCl, and CsCl solutions

Piotr Jurkiewicz, Lukasz Cwiklik, Alžběta Vojtíšková, Pavel Jungwirth, Martin Hof

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2012

Language:

english

File:

PDF, 5.28 MB

english, 2012

24

Biophysics of lipid bilayers containing oxidatively modified phospholipids: Insights from fluorescence and EPR experiments and from MD simulations

Piotr Jurkiewicz, Agnieszka Olżyńska, Lukasz Cwiklik, Elena Conte, Pavel Jungwirth, Francesco M. Megli, Martin Hof

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2012

Language:

english

File:

PDF, 1.42 MB

english, 2012

25

Ionization of Imidazole in the Gas Phase, Microhydrated Environments, and in Aqueous Solution

Jagoda-Cwiklik, Barbara, Slavíček, Petr, Cwiklik, Lukasz, Nolting, Dirk, Winter, Bernd, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 180 KB

english, 2008

26

The effect of lipid oxidation on the water permeability of phospholipids bilayers

Lis, Mateusz, Wizert, Alicja, Przybylo, Magda, Langner, Marek, Swiatek, Jerzy, Jungwirth, Pavel, Cwiklik, Lukasz

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.38 MB

english, 2011

27

Oxidized Phosphatidylcholines Facilitate Phospholipid Flip-Flop in Liposomes

Volinsky, Roman, Cwiklik, Lukasz, Jurkiewicz, Piotr, Hof, Martin, Jungwirth, Pavel, Kinnunen, Paavo K.J.

Journal:

Biophysical Journal

Year:

2011

Language:

english

File:

PDF, 946 KB

english, 2011

28

Effect of heavy water on phospholipid membranes: experimental confirmation of molecular dynamics simulations

Beranová, Lenka, Humpolíčková, Jana, Sýkora, Jan, Benda, Aleš, Cwiklik, Lukasz, Jurkiewicz, Piotr, Gröbner, Gerhard, Hof, Martin

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 911 KB

english, 2012

29

Anions of Alkali Halide Salts at Surfaces of Formamide Solutions: Concentration Depth Profiles and Surface Topography

Andersson, Gunther, Morgner, Harald, Cwiklik, Lukasz, Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry C

Year:

2007

Language:

english

File:

PDF, 473 KB

english, 2007

30

Clathrate hydrates with hydrogen-bonding guests

Buch, Victoria, Devlin, J. Paul, Monreal, I. Abrrey, Jagoda-Cwiklik, Barbara, Uras-Aytemiz, Nevin, Cwiklik, Lukasz

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 2.32 MB

english, 2009

31

Oxidation Changes Physical Properties of Phospholipid Bilayers: Fluorescence Spectroscopy and Molecular Simulations

Beranova, Lenka, Cwiklik, Lukasz, Jurkiewicz, Piotr, Hof, Martin, Jungwirth, Pavel

Journal:

Year:

2010

Language:

english

File:

PDF, 1018 KB

english, 2010

32

Cation-Specific Interactions with Carboxylate in Amino Acid and Acetate Aqueous Solutions: X-ray Absorption and ab initio Calculations

Aziz, Emad F., Ottosson, Niklas, Eisebitt, Stefan, Eberhardt, Wolfgang, Jagoda-Cwiklik, Barbara, Vácha, Robert, Jungwirth, Pavel, Winter, Bernd

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 458 KB

english, 2008

33

Ion Pairing as a Possible Clue for Discriminating between Sodium and Potassium in Biological and Other Complex Environments

Jagoda-Cwiklik, Barbara, Vácha, Robert, Lund, Mikael, Srebro, Monika, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 82 KB

english, 2007

34

Accurate Determination of the Orientational Distribution of a Fluorescent Molecule in a Phospholipid Membrane

Timr, Štěpán, Bondar, Alexey, Cwiklik, Lukasz, Štefl, Martin, Hof, Martin, Vazdar, Mario, Lazar, Josef, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 3.88 MB

english, 2014

35

Comprehensive portrait of cholesterol containing oxidized membrane

Štefl, Martin, Šachl, Radek, Olżyńska, Agnieszka, Amaro, Mariana, Savchenko, Dariya, Deyneka, Alexander, Hermetter, Albin, Cwiklik, Lukasz, Humpolíčková, Jana, Hof, Martin

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2014

Language:

english

File:

PDF, 641 KB

english, 2014

36

Interactions of beta-blockers with model lipid membranes: Molecular view of the interaction of acebutolol, oxprenolol, and propranolol with phosphatidylcholine vesicles by time-dependent fluorescence shift and molecular dynamics simulations

Först, Gesche, Cwiklik, Lukasz, Jurkiewicz, Piotr, Schubert, Rolf, Hof, Martin

Journal:

European Journal of Pharmaceutics and Biopharmaceutics

Year:

2014

Language:

english

File:

PDF, 1.56 MB

english, 2014

37

Fluorescence of PRODAN in water: A computational QM/MM MD study

Pederzoli, Marek, Sobek, Lukáš, Brabec, Jiří, Kowalski, Karol, Cwiklik, Lukasz, Pittner, Jiří

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 1023 KB

english, 2014

38

Hydration and Mobility of Oxidized Phospholipid Bilayer: Fluorescence Solvent Relaxation and Fluorescence Correlation Spectroscopy Study

Jurkiewicz, Piotr, Beranova, Lenka, Cwiklik, Lukasz, Jungwirth, Pavel, Hof, Martin

Journal:

Biophysical Journal

Year:

2011

Language:

english

File:

PDF, 37 KB

english, 2011

39

Molecular-Level Organization of the Tear Film Lipid Layer: A Molecular Dynamics Simulation Study

Wizert, Alicja, Iskander, D. Robert, Jungwirth, Pavel, Cwiklik, Lukasz

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 41 KB

english, 2014

40

Behavior of 4-Hydroxynonenal in Phospholipid Membranes

Vazdar, Mario, Jurkiewicz, Piotr, Hof, Martin, Jungwirth, Pavel, Cwiklik, Lukasz

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 2.90 MB

english, 2012

41

On the Convergence of the Physicochemical Properties of [ n ]Helicenes

Rulíšek, Lubomír, Exner, Otto, Cwiklik, Lukasz, Jungwirth, Pavel, Starý, Ivo, Pospíšil, Lubomír, Havlas, Zdeněk

Journal:

The Journal of Physical Chemistry C

Year:

2007

Language:

english

File:

PDF, 319 KB

english, 2007

42

Hydroxide Impurity in Ice †

Cwiklik, Lukasz, Devlin, J. P., Buch, Victoria

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 2.28 MB

english, 2009

43

Microsolvation of the Dicyanamide Anion: [N(CN) 2- ](H 2 O) n ( n = 0−12)

Jagoda-Cwiklik, Barbara, Wang, Xue-Bin, Woo, Hin-Koon, Yang, Jie, Wang, Guan-Jun, Zhou, Mingfei, Jungwirth, Pavel, Wang, Lai-Sheng

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 435 KB

english, 2007

44

Ionization of Aqueous Cations: Photoelectron Spectroscopy and ab Initio Calculations of Protonated Imidazole

Jagoda-Cwiklik, Barbara, Slavíček, Petr, Nolting, Dirk, Winter, Bernd, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 444 KB

english, 2008

45

Existence of Oriented Ion−Hydroxide Clusters in Concentrated Aqueous NaCl Solution at pH 13

Aziz, Emad F., Eisebitt, Stefan, Eberhardt, Wolfgang, Cwiklik, Lukasz, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 210 KB

english, 2008

46

Classical to Nonclassical Transition of Ether−HCN Clathrate Hydrates at Low Temperature

Monreal, I. Abrrey, Cwiklik, Lukasz, Jagoda-Cwiklik, Barbara, Devlin, J. Paul

Journal:

The Journal of Physical Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 1.33 MB

english, 2010

47

Ion specific effects of sodium and potassium on the catalytic activity of HIV-1 protease

Heyda, Jan, Pokorná, Jana, Vrbka, Luboš, Vácha, Robert, Jagoda-Cwiklik, Barbara, Konvalinka, Jan, Jungwirth, Pavel, Vondrášek, Jiří

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.20 MB

english, 2009

48

Behavior of the Eigen Form of Hydronium at the Air/Water Interface

Jagoda-Cwiklik, Barbara, Cwiklik, Lukasz, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 2.51 MB

english, 2011

49

Single Lipid Extraction: The Anchoring Strength of Cholesterol in Liquid-Ordered and Liquid-Disordered Phases

Stetter, Frank W.S., Cwiklik, Lukasz, Jungwirth, Pavel, Hugel, Thorsten

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 1.61 MB

english, 2014

50

Increased Propensity of I aq− for the Water Surface in Non-neutral Solutions: Implications for the Interfacial Behavior of H 3 O aq+ and OH aq−

Ottosson, N., Cwiklik, L., Söderström, J., Björneholm, O., Öhrwall, G., Jungwirth, P.

Journal:

The Journal of Physical Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 1.28 MB

english, 2011