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51

Unexpectedly Strong Energy Stabilization Inside the Hydrophobic Core of Small Protein Rubredoxin Mediated by Aromatic Residues: Correlated Ab Initio Quantum Chemical Calculations

Vondrášek, Jiří, Bendová, Lada, Klusák, Vojtěch, Hobza, Pavel

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 169 KB

english, 2005

52

Performance of the DFT-D method, paired with the PCM implicit solvation model, for the computation of interaction energies of solvated complexes of biological interest

Riley, Kevin E., Vondrášek, Jiři, Hobza, Pavel

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 836 KB

english, 2007

53

Like-Charge Guanidinium Pairing from Molecular Dynamics and Ab Initio Calculations

Vazdar, Mario, Vymětal, Jiři, Heyda, Jan, Vondrášek, Jiři, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.12 MB

english, 2011

54

A systematic method for analysing the protein hydration structure of T4 lysozyme

Kysilka, J., Vondrášek, J.

Journal:

Journal of Molecular Recognition

Year:

2013

Language:

english

File:

PDF, 3.37 MB

english, 2013

55

Parental Factors and Sexual Risk-Taking among Young People in Côte d'Ivoire

Stella Babalola, B. Oleko Tambashe and Claudia Vondrasek

Journal:

African Journal of Reproductive Health

Year:

2005

Language:

english

File:

PDF, 2.29 MB

english, 2005

56

Social Factors Affect the Singing Rates of Female Northern Cardinals Cardinalis cardinalis

Joanna R. Vondrasek

Journal:

Journal of Avian Biology

Year:

2006

Language:

english

File:

PDF, 847 KB

english, 2006

57

On InChI and evaluating the quality of cross-reference links

Galgonek, Jakub, Vondrášek, Jiří

Journal:

Journal of Cheminformatics

Year:

2014

Language:

english

File:

PDF, 287 KB

english, 2014

58

Argon ionization cross sections for charge state distribution modeling in electron cyclotron resonance ion source

Bogatu, I. N., Edgell, D. H., Kim, J. S., Pardo, R. C., Vondrasek, R.

Journal:

Review of Scientific Instruments

Year:

2002

Language:

english

File:

PDF, 296 KB

english, 2002

59

Optimal Definition of Inter-Residual Contact in Globular Proteins Based on Pairwise Interaction Energy Calculations, Its Robustness, and Applications

Fačkovec, Boris, Vondrášek, Jiří

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 1.93 MB

english, 2012

60

Parametrization of 2,2,2-Trifluoroethanol Based on the Generalized Amber Force Field Provides Realistic Agreement between Experimental and Calculated Properties of Pure Liquid as Well as Water-Mixed Solutions

Vymětal, Jiří, Vondrášek, Jiří

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 2.20 MB

english, 2014

61

Cathepsin D Propeptide: Mechanism and Regulation of Its Interaction with the Catalytic Core †

Máša, Martin, Marešová, Lucie, Vondrášek, Jiří, Horn, Martin, Ježek, Jan, Mareš, Michael

Journal:

Year:

2006

Language:

english

File:

PDF, 373 KB

english, 2006

62

Progress of laser ablation for accelerator mass spectroscopy at ATLAS utilizing an ECRISa)

Scott, R., Palchan, T., Pardo, R., Vondrasek, R., Kondev, F., Nusair, O., Peters, C., Paul, M., Bauder, W., Collon, P.

Journal:

Review of Scientific Instruments

Year:

2014

Language:

english

File:

PDF, 751 KB

english, 2014

63

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

64

Unexpectedly Strong Energy Stabilization Inside the Hydrophobic Core of Small Protein Rubredoxin Mediated by Aromatic Residues: Correlated Ab Initio Quantum Chemical Calculations [ J. Amer. Chem. Soc. 2005 , 127 , 2615−2617].

Vondrasek, Jiri, Bendova, Lada, Klusak, Vojtech, Hobza, Pavel

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 11 KB

english, 2005

65

Quasiplanarity of the Peptide Bond

Chalupský, Jakub, Vondrášek, Jiří, Špirko, Vladimír

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 137 KB

english, 2008

66

MedusaScore: An Accurate Force Field-Based Scoring Function for Virtual Drug Screening

Yin, Shuangye, Biedermannova, Lada, Vondrasek, Jiri, Dokholyan, Nikolay V.

Journal:

Journal of Chemical Information and Modeling

Year:

2008

Language:

english

File:

PDF, 536 KB

english, 2008

67

Model of Peptide Bond−Aromatic Ring Interaction: Correlated Ab Initio Quantum Chemical Study

Bendová, Lada, Jurečka, Petr, Hobza, Pavel, Vondrášek, Jiří

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 151 KB

english, 2007

68

Rolling Prey and the Acquisition of Aerial Foraging Skills in Northern Mockingbirds

Vondrasek, Joanna R.

Journal:

The Wilson Bulletin

Year:

2005

Language:

english

File:

PDF, 35 KB

english, 2005

69

[IEEE Comput. Soc IEEE Computer Society Bioinformatics Conference - Stanford, CA, USA (14-16 Aug. 2002)] Proceedings. IEEE Computer Society Bioinformatics Conference - HIV protease structural database

Ravichandran, V., Vondrasek, J., Gilliland, G., Bhat, T.N., Wlodawer, A.

Year:

2002

Language:

english

File:

PDF, 195 KB

english, 2002

70

[IEEE 2006 International Conference on Applied Electronics - Pilsen, Czech Republic (2006.09.6-2006.09.7)] 2006 International Conference on Applied Electronics - Virtual Electrodes Discrimination in Nucleus® 24 Cochlear Implant

Vondrasek, Martin, Tichy, Tomas, Sovka, Pavel

Year:

2006

Language:

english

File:

PDF, 4.03 MB

english, 2006

71

[IEEE 1997 Particle Accelerator Conference - Vancouver, BC, Canada (12-16 May 1997)] Proceedings of the 1997 Particle Accelerator Conference (Cat. No.97CH36167) - A new 14 GHz electron-cyclotron-resonance ion source (ECRIS) for the heavy ion accelerator facility ATLAS

Schlapp, M., Vondrasek, R.C., Szczech, J., Billquist, P.J., Xie, Z.Q., Harkewicz, R., Pardo, R.C.

Year:

1998

Language:

english

File:

PDF, 263 KB

english, 1998

72

Results with the electron cyclotron resonance charge breeder for the [sup 252]Cf fission source project (Californium Rare Ion Breeder Upgrade) at Argonne Tandem Linac Accelerator System

Vondrasek, R., Kondrashev, S., Pardo, R., Scott, R., Zinkann, G. P.

Journal:

Review of Scientific Instruments

Year:

2010

Language:

english

File:

PDF, 607 KB

english, 2010

73

Note: Production of a mercury beam with an electron cyclotron resonance ion source

Vondrasek, R., Pardo, R., Scott, R.

Journal:

Review of Scientific Instruments

Year:

2013

Language:

english

File:

PDF, 829 KB

english, 2013

74

The Impact of a Regional Family Planning Service Promotion Initiative in Sub-Saharan Africa: Evidence from Cameroon

Stella Babalola, Claudia Vondrasek, Jane Brown and Regina Traore

Journal:

International Family Planning Perspectives

Year:

2001

Language:

english

File:

PDF, 1.52 MB

english, 2001

75

Activation Route of the Schistosoma mansoni Cathepsin B1 Drug Target: Structural Map with a Glycosaminoglycan Switch

Jílková, Adéla, Horn, Martin, Řezáčová, Pavlína, Marešová, Lucie, Fajtová, Pavla, Brynda, Jiří, Vondrášek, Jiří, McKerrow, James H., Caffrey, Conor R., Mareš, Michael

Journal:

Year:

2014

Language:

english

File:

PDF, 3.34 MB

english, 2014

76

Electron cyclotron resonance ion source one-dimensional fluid modeling

D. H. Edgell, J. Kim, I. N. Bogatu, R. C. Pardo, R. C. Vondrasek

Year:

2002

Language:

english

File:

PDF, 313 KB

english, 2002

77

Performance of the Argonne National Laboratory electron cyclotron resonance charge breeder

R. Vondrasek, A. Kolomiets, A. Levand, R. Pardo, G. Savard, R. Scott

Year:

2011

Language:

english

File:

PDF, 782 KB

english, 2011

78

Ion beam development for the needs of the JYFL nuclear physics programme

Koivisto, H., Suominen, P., Ropponen, T., Ropponen, J., Koponen, T., Savonen, M., Toivanen, V., Wu, X., Machicoane, G., Stetson, J., Zavodszky, P., Doleans, M., Spädtke, P., Vondrasek, R., Tarvainen,

Journal:

Review of Scientific Instruments

Year:

2008

Language:

english

File:

PDF, 683 KB

english, 2008

79

level in heliumlike nickel

Dunford, R. W., Liu, C. J., Last, J., Berrah-Mansour, N., Vondrasek, R., Church, D. A., Curtis, L. J.

Journal:

Physical Review A

Year:

1991

Language:

english

File:

PDF, 187 KB

english, 1991

80

ECRIS operation with multiple frequencies

Vondrasek, R. C., Scott, R., Pardo, R. C.

Journal:

Review of Scientific Instruments

Year:

2006

Language:

english

File:

PDF, 346 KB

english, 2006

81

A new 14 GHz electron-cyclotron-resonance ion source for the heavy ion accelerator facility ATLAS

Schlapp, M., Pardo, R. C., Vondrasek, R. C., Szczech, J., Billquist, P. J., Vieregg, J., Xie, Z. Q., Lyneis, C. M., Harkewicz, R.

Journal:

Review of Scientific Instruments

Year:

1998

Language:

english

File:

PDF, 361 KB

english, 1998

82

ATLAS 10 GHz electron cyclotron resonance ion source upgrade project

Moehs, D. P., Vondrasek, R., Pardo, R. C., Xie, D.

Journal:

Review of Scientific Instruments

Year:

2000

Language:

english

File:

PDF, 339 KB

english, 2000

83

A one-dimensional axial electron cyclotron resonance source model

Edgell, D. H., Kim, J. S., Wong, S. K., Pardo, R. C., Vondrasek, R.

Journal:

Review of Scientific Instruments

Year:

2000

Language:

english

File:

PDF, 321 KB

english, 2000

84

Integrated modeling of electron cyclotron resonance ion sources and charge breeders with GEM, MCBC, and IonEx

Kim, J. S., Zhao, L., Cluggish, B. P., Galkin, S. A., Grubert, J. E., Pardo, R. C., Vondrasek, R. C.

Journal:

Review of Scientific Instruments

Year:

2010

Language:

english

File:

PDF, 452 KB

english, 2010

85

Magnetic field upgrade of Argonne National Laboratory 14 GHz ECR ion source

Vondrasek, R. C., Scott, R., Pardo, R. C.

Journal:

Review of Scientific Instruments

Year:

2004

Language:

english

File:

PDF, 423 KB

english, 2004

86

A multi-sample changer coupled to an electron cyclotron resonance source for accelerator mass spectrometry experimentsa)

Vondrasek, R., Palchan, T., Pardo, R., Peters, C., Power, M., Scott, R.

Journal:

Review of Scientific Instruments

Year:

2014

Language:

english

File:

PDF, 1.05 MB

english, 2014

87

Improved charge breeding efficiency of light ions with an electron cyclotron resonance ion source

Vondrasek, R., Delahaye, P., Kutsaev, Sergey, Maunoury, L.

Journal:

Review of Scientific Instruments

Year:

2012

Language:

english

File:

PDF, 1.66 MB

english, 2012

88

Quantification and rationalization of the higher affinity of sodium over potassium to protein surfaces

Vrbka, L., Vondrasek, J., Jagoda-Cwiklik, B., Vacha, R., Jungwirth, P.

Journal:

Proceedings of the National Academy of Sciences

Year:

2006

Language:

english

File:

PDF, 312 KB

english, 2006

89

Simulation of charge breeding of rubidium using Monte Carlo charge breeding code and generalized ECRIS model

Zhao, L., Cluggish, B., Kim, J. S., Pardo, R., Vondrasek, R.

Journal:

Review of Scientific Instruments

Year:

2010

Language:

english

File:

PDF, 563 KB

english, 2010

90

Effect of Enamel Matrix Derivative and of Proline-Rich Synthetic Peptides on the Differentiation of Human Mesenchymal Stem Cells Toward the Osteogenic Lineage

Ramis, Joana Maria, Rubert, Marina, Vondrasek, Jiri, Gayà, Antoni, Lyngstadaas, Staale Petter, Monjo, Marta

Journal:

Tissue Engineering Part A

Year:

2012

Language:

english

File:

PDF, 662 KB

english, 2012

91

Model of charge-state distributions for electron cyclotron resonance ion source plasmas

Edgell, D. H., Kim, J. S., Wong, S. K., Pardo, R. C., Vondrasek, R.

Journal:

Physical Review Special Topics - Accelerators and Beams

Year:

1999

Language:

english

File:

PDF, 158 KB

english, 1999

92

An Empirical Potential Study of the Interaction of L—;Lysine—;L—;Alanine—;L—;Alanine Tripeptide with Four models of B—;DNA with different Compositions

Vondrásek, Jiří, Šponar, Jaroslav, Hobza, Pavel

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

1994

Language:

english

File:

PDF, 872 KB

english, 1994

93

Large-Scale Quantitative Assessment of Binding Preferences in Protein–Nucleic Acid Complexes

Jakubec, Dávid, Hostaš, Jiří, Laskowski, Roman A., Hobza, Pavel, Vondrášek, Jiří

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 2.34 MB

english, 2015

94

Some aspects of the unified model of non-ideal high-parameter plasmas: electron EOS and conduction coefficients

Drska, L., Vondrasek, J.

Journal:

Laser and Particle Beams

Year:

1989

Language:

english

File:

PDF, 450 KB

english, 1989

95

Anatomically and morphologically unique dark septate endophytic association in the roots of the Mediterranean endemic seagrassPosidonia oceanica

Vohník, Martin, Borovec, Ondřej, Župan, Ivan, Vondrášek, David, Petrtýl, Miloslav, Sudová, Radka

Journal:

Year:

2015

Language:

english

File:

PDF, 9.22 MB

english, 2015

96

Homology modeling and SAR analysis of Schistosoma japonicum cathepsin D (SjCD) with statin inhibitors identify a unique active site steric barrier with potential for the design of specific inhibitors

Caffrey, Conor R., Placha, Lenka, Barinka, Cyril, Hradilek, Martin, Dostál, Jiří, Sajid, Mohammed, McKerrow, James H., Majer, Pavel, Konvalinka, Jan, Vondrášek, Jiří

Journal:

Biological Chemistry

Year:

2005

Language:

english

File:

PDF, 351 KB

english, 2005

97

Intrinsically Disordered Enamel Matrix Protein Ameloblastin Forms Ribbon-like Supramolecular Structures via an N-terminal Segment Encoded by Exon 5

Wald, T., Osickova, A., Sulc, M., Benada, O., Semeradtova, A., Rezabkova, L., Veverka, V., Bednarova, L., Maly, J., Macek, P., Sebo, P., Slaby, I., Vondrasek, J., Osicka, R.

Journal:

Journal of Biological Chemistry

Year:

2013

Language:

english

File:

PDF, 3.43 MB

english, 2013

98

How to fragment a polypeptide? An ab initio computational study of pair interactions between amino acids and ligand-amino acids in proteins

Klusák, Vojtěch, Dobeš, Petr, Černý, Jiří, Vondrášek, Jiří

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2011

Language:

english

File:

PDF, 591 KB

english, 2011

99

PIP2 and PIP3 interact with N-terminus region of TRPM4 channel

Bousova, Kristyna, Jirku, Michaela, Bumba, Ladislav, Bednarova, Lucie, Sulc, Miroslav, Franek, Miloslav, Vyklicky, Ladislav, Vondrasek, Jiri, Teisinger, Jan

Journal:

Biophysical Chemistry

Year:

2015

Language:

english

File:

PDF, 1.46 MB

english, 2015

100

Increasing Affinity of Interferon- Receptor 1 to Interferon- by Computer-Aided Design

Mikulecký, Pavel, Černý, Jiří, Biedermannová, Lada, Petroková, Hana, Kuchař, Milan, Vondrášek, Jiří, Malý, Petr, Šebo, Peter, Schneider, Bohdan

Journal:

BioMed Research International

Year:

2013

Language:

english

File:

PDF, 924 KB

english, 2013