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51

Genomic imprinting mediates dosage compensation in a young plant XY system

Muyle, Aline, Zemp, Niklaus, Fruchard, Cécile, Cegan, Radim, Vrana, Jan, Deschamps, Clothilde, Tavares, Raquel, Hobza, Roman, Picard, Franck, Widmer, Alex, Marais, Gabriel A. B.

Journal:

Year:

2018

Language:

english

File:

PDF, 1.48 MB

english, 2018

52

Structure and Properties of Double-Sandwich Complexes at Graphene Surface: A Theoretical Study

Miriyala, Vijay Madhav, Lo, Rabindranath, Haldar, Susanta, Sarmah, Amrit, Hobza, Pavel

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 4.20 MB

english, 2019

53

Target market under MiFID II: the distributor’s perspective

Hobza, Martin, Vondráčková, Aneta

Journal:

Capital Markets Law Journal

Year:

2019

File:

PDF, 145 KB

2019

54

Impressive Enrichment of Semiempirical Quantum Mechanics‐Based Scoring Function: HSP90 Protein with 4541 Inhibitors and Decoys

Eyrilmez, Saltuk M., Köprülüoğlu, Cemal, Řezáč, Jan, Hobza, Pavel

Journal:

Year:

2019

File:

PDF, 637 KB

2019

55

The Formation of Sex Chromosomes in Silene latifolia and S. dioica Was Accompanied by Multiple Chromosomal Rearrangements

BaÄovskÃ½, VÃ¡clav, Äegan, Radim, Å imonÃkovÃ¡, Denisa, HÅibovÃ¡, Eva, Hobza, Roman

Journal:

Frontiers in Plant Science

Year:

2020

Language:

english

File:

PDF, 2.11 MB

english, 2020

56

Comparison of Groundwater Storage Changes from GRACE Satellites with Monitoring and Modeling of Major U.S. Aquifers

Rateb, Ashraf, Scanlon, Bridget R., Pool, Donald R., Sun, Alexander, Zhang, Zizhan, Chen, Jianli, Clark, Brian, Faunt, Claudia C., Haugh, Connor J., Hill, Mary, Hobza, Christopher, McGuire, Virginia L

Journal:

Water Resources Research

Year:

2020

File:

PDF, 2.79 MB

2020

57

Base stacking in cytosine dimer. A comparison of correlatedab initio calculations with three empirical potential models and density functional theory calculations

Seponer, Jire�, Leszczynski, Jerzy, Hobza, Pavel

Journal:

Journal of Computational Chemistry

Year:

1996

Language:

english

File:

PDF, 831 KB

english, 1996

58

On the thermodynamic characteristics of the benzene … Ar2 complex: An application of the ab initio intermolecular potential

Jaroslav Vacek, Pavel Hobza

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 474 KB

english, 1996

59

Structural nonrigidity of nucleic acid bases. Post–Hartree–Fock ab initio study

Oleg V. Shishkin, Leonid Gorb, Pavel Hobza, Jerzy Leszczynski

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 158 KB

english, 2000

60

Study of the Nature of Improper Blue-Shifting Hydrogen Bonding and Standard Hydrogen Bonding in the X3CH⋅⋅⋅OH2 and XH⋅⋅⋅OH2 Complexes (X=F, Cl, Br, I): A Correlated Ab Initio Study

Wiktor Zierkiewicz, Danuta Michalska, Zdenek Havlas, Pavel Hobza

Journal:

Year:

2002

Language:

english

File:

PDF, 123 KB

english, 2002

61

Buchbesprechung: Principles of Molecular Mechanics. Von Katsunosuke Machida.

Journal:

Angewandte Chemie

Year:

2001

Language:

german

File:

PDF, 86 KB

german, 2001

62

At Nonzero Temperatures, Stacked Structures of Methylated Nucleic Acid Base Pairs and Microhydrated Nonmethylated Nucleic Acid Base Pairs are Favored over Planar Hydrogen-Bonded Structures: A Molecular Dynamics Simulations Study

Martin Kabeláč, Pavel Hobza

Journal:

Chemistry - A European Journal

Year:

2001

Language:

english

File:

PDF, 197 KB

english, 2001

63

Book Review: Principles of Molecular Mechanics. By Katsunosuke Machida.

Journal:

Angewandte Chemie International Edition

Year:

2001

Language:

english

File:

PDF, 87 KB

english, 2001

64

Ferrocene-Modified Purines as Potential Electrochemical Markers: Synthesis, Crystal Structures, Electrochemistry and Cytostatic Activity of (Ferrocenylethynyl)- and (Ferrocenylethyl)purines

Michal Hocek, Petr Štěpnička, Jiří Ludvík, Ivana Císařová, Ivan Votruba, David Řeha, Pavel Hobza

Journal:

Chemistry - A European Journal

Year:

2004

Language:

english

File:

PDF, 225 KB

english, 2004

65

Are the Hydrogen Bonds of RNA (A⋅U) Stronger Than those of DNA (A⋅T)? A Quantum Mechanics Study

Alberto Pérez, Jiri Sponer, Petr Jurecka, Pavel Hobza, F. Javier Luque, Modesto Orozco

Journal:

Chemistry - A European Journal

Year:

2005

Language:

english

File:

PDF, 89 KB

english, 2005

66

Structure and IR Spectrum of Phenylalanyl–Glycyl–Glycine Tripetide in the Gas-Phase: IR/UV Experiments, Ab Initio Quantum Chemical Calculations, and Molecular Dynamic Simulations

D. Řeha, H. Valdés, J. Vondrášek, P. Hobza, Ali Abu-Riziq, Bridgit Crews, Mattanjah S. de Vries

Journal:

Chemistry - A European Journal

Year:

2005

Language:

english

File:

PDF, 1.60 MB

english, 2005

67

Binding of Cationic and Neutral Phenanthridine Intercalators to a DNA Oligomer Is Controlled by Dispersion Energy: Quantum Chemical Calculations and Molecular Mechanics Simulations

Tomáš Kubař, Michal Hanus, Filip Ryjáček, Pavel Hobza

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 292 KB

english, 2006

68

Exceptional Thermodynamic Stability of DNA Duplexes Modified by Nonpolar Base Analogues Is due to Increased Stacking Interactions and Favorable Solvation: Correlated Ab Initio Calculations and Molecular Dynamics Simulations

David Řeha, Michal Hocek, Pavel Hobza

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 369 KB

english, 2006

69

Nature of Base Stacking: Reference Quantum-Chemical Stacking Energies in Ten Unique B-DNA Base-Pair Steps

Jiří Šponer, Petr Jurečka, Ivan Marchan, F. Javier Luque, Modesto Orozco, Pavel Hobza

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 232 KB

english, 2006

70

Interaction Energies for the Purine Inhibitor Roscovitine with Cyclin-Dependent Kinase 2: Correlated Ab Initio Quantum-Chemical, DFT and Empirical Calculations

Petr Dobeš, Michal Otyepka, Miroslav Strnad, Pavel Hobza

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 433 KB

english, 2006

71

DNA Base Trimers: Empirical and Quantum Chemical Ab Initio Calculations versus Experiment in Vacuo

Martin Kabeláč, Edward C. Sherer, Christopher J. Cramer, Pavel Hobza

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 373 KB

english, 2007

72

On the Nature of DNA-Duplex Stability

Jan Řezáč, Pavel Hobza

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 169 KB

english, 2007

73

Potential-Energy and Free-Energy Surfaces of Glycyl-Phenylalanyl-Alanine (GFA) Tripeptide: Experiment and Theory

Haydee Valdes, Vojtech Spiwok, Jan Rezac, David Reha, Ali G. Abo-Riziq, Mattanjah S. de Vries, Pavel Hobza

Journal:

Chemistry - A European Journal

Year:

2008

Language:

english

File:

PDF, 640 KB

english, 2008

74

Theoretical Study of the Stability of the DNA Duplexes Modified by a Series of Hydrophobic Base Analogues

Lucie Zendlová, David Řeha, Michal Hocek, Pavel Hobza

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 787 KB

english, 2009

75

ChemInform Abstract: Structure, Energetics, and Dynamics of the Nucleic Acid Base Pairs: Nonempirical ab initio Calculations

Pavel Hobza, Jiri Sponer

Journal:

Year:

2000

File:

PDF, 26 KB

2000

76

ChemInform Abstract: Noncovalent Interactions: A Challenge for Experiment and Theory

Klaus Mueller-Dethlefs, Pavel Hobza

Journal:

Year:

2000

File:

PDF, 26 KB

2000

77

ChemInform Abstract: At Nonzero Temperatures, Stacked Structures of Methylated Nucleic Acid/Base Pairs and Mircrohydrated Nonmethylated Nucleic Acid Base Pairs are Favored over Planar Hydrogen-Bonded Structures: A Molecular Dynamics Simulations Study.

Martin Kabelac, Pavel Hobza

Journal:

Year:

2002

File:

PDF, 25 KB

2002

78

On Differences between Hydrogen Bonding and Improper Blue-Shifting Hydrogen Bonding

Wiktor Zierkiewicz, Petr Jurečka, Pavel Hobza

Journal:

Year:

2005

Language:

english

File:

PDF, 159 KB

english, 2005

79

Potential Energy Surfaces of the Microhydrated Guanine⋅⋅⋅Cytosine Base Pair and its Methylated Analogue

Lucie Zendlová, Pavel Hobza, Martin Kabeláč

Journal:

Year:

2006

Language:

english

File:

PDF, 287 KB

english, 2006

80

Theoretical Investigations into the Blue-Shifting Hydrogen Bond in Benzene Complexes

Vladimír Špirko, Pavel Hobza

Journal:

Year:

2006

Language:

english

File:

PDF, 130 KB

english, 2006

81

Interaction of Carboranes with Biomolecules: Formation of Dihydrogen Bonds

Jindřich Fanfrlík, Martin Lepšík, Dominik Horinek, Zdeněk Havlas, Pavel Hobza

Journal:

Year:

2006

Language:

english

File:

PDF, 214 KB

english, 2006

82

On the Origin of Red and Blue Shifts of XH and CH Stretching Vibrations in Formic Acid (Formate Ion) and Proton Donor Complexes

Renato Luis Tâme Parreira, Sérgio Emanuel Galembeck, Pavel Hobza

Journal:

Year:

2007

Language:

english

File:

PDF, 222 KB

english, 2007

83

On the Nature of the Surprisingly Small (Red) Shift in the Halothane⋅⋅⋅Acetone Complex

Kristýna Pluháčková, Pavel Hobza

Journal:

Year:

2007

Language:

english

File:

PDF, 113 KB

english, 2007

84

CH Stretching Vibrational Shift of Benzene Dimer: Consistency of Experiment and Calculation

Weizhou Wang, Michal Pitoňák, Pavel Hobza

Journal:

Year:

2007

Language:

english

File:

PDF, 99 KB

english, 2007

85

Theoretical Study on the Complexes of Benzene with Isoelectronic Nitrogen-Containing Heterocycles

Weizhou Wang, Pavel Hobza

Journal:

Year:

2008

Language:

english

File:

PDF, 237 KB

english, 2008

86

Highly Accurate CCSD(T) and DFT–SAPT Stabilization Energies of H-Bonded and Stacked Structures of the Uracil Dimer

Michal Pitoňák, Kevin E. Riley, Pavel Neogrády, Pavel Hobza

Journal:

Year:

2008

Language:

english

File:

PDF, 308 KB

english, 2008

87

Analysis of Energy Stabilization inside the Hydrophobic Core of Rubredoxin

Karel Berka, Pavel Hobza, Jiří Vondrášek

Journal:

Year:

2009

Language:

english

File:

PDF, 280 KB

english, 2009

88

Scaled MP3 Non-Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data

Michal Pitoňák, Pavel Neogrády, Jiří Černý, Stefan Grimme, Pavel Hobza

Journal:

Year:

2009

Language:

english

File:

PDF, 314 KB

english, 2009

89

On the Reliability of the AMBER Force Field and its Empirical Dispersion Contribution for the Description of Noncovalent Complexes

Michal Kolář, Karel Berka, Petr Jurečka, Pavel Hobza

Journal:

Year:

2010

Language:

english

File:

PDF, 719 KB

english, 2010

90

Isolated Gramicidin Peptides Probed by IR Spectroscopy

Dr. Anouk M. Rijs, Dr. Martin Kabeláč, Dr. Ali Abo-Riziq, Prof. Pavel Hobza, Prof. Mattanjah S. de Vries

Journal:

Year:

2011

Language:

english

File:

PDF, 751 KB

english, 2011

91

On the Nature of the Stabilization of Benzene⋅⋅⋅Dihalogen and Benzene⋅⋅⋅Dinitrogen Complexes: CCSD(T)/CBS and DFT-SAPT Calculations

Dr. Elango Munusamy, Robert Sedlak, Prof. Pavel Hobza

Journal:

Year:

2011

Language:

english

File:

PDF, 1.16 MB

english, 2011

92

Purines Bearing Phenanthroline or Bipyridine Ligands and Their RuII Complexes in Position 8 as Model Compounds for Electrochemical DNA Labeling – Synthesis, Crystal Structure, Electrochemistry, Quantum Chemical Calculations, Cytostatic and Antiviral Activity

Milan Vrábel, Michal Hocek, Luděk Havran, Miroslav Fojta, Ivan Votruba, Blanka Klepetářová, Radek Pohl, Lubomír Rulíšek, Lucie Zendlová, Pavel Hobza, I-hung Shih, Eric Mabery, Richard Mackman

Journal:

European Journal of Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 306 KB

english, 2007

93

New parameterization of the Cornell et al. empirical force field covering amino group nonplanarity in nucleic acid bases

Filip Ryjáček, Tomáš Kubař, Pavel Hobza

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 227 KB

english, 2003

94

Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations

Petr Jurečka, Jiří Černý, Pavel Hobza, Dennis R. Salahub

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 202 KB

english, 2007

95

Evaluation of the intramolecular basis set superposition error in the calculations of larger molecules: [n]helicenes and Phe-Gly-Phe tripeptide

Haydée Valdés, Vojtěch Klusák, Michal Pitoňák, Otto Exner, Ivo Starý, Pavel Hobza, Lubomír Rulíšek

Journal:

Journal of Computational Chemistry

Year:

2008

Language:

english

File:

PDF, 217 KB

english, 2008

96

The charge-transfer states in a stacked nucleobase dimer complex: A benchmark study

Adélia J. A. Aquino, Dana Nachtigallova, Pavel Hobza, Donald G. Truhlar, Christof Hättig, Hans Lischka

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 1.30 MB

english, 2011

97

Evaluation of the performance of post-Hartree-Fock methods in terms of intermolecular distance in noncovalent complexes

Jan Řezáč, Kevin E. Riley, Pavel Hobza

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 834 KB

english, 2012

98

The Remarkable Structure of Lithium Cyanide/Isocyanide

Paul Von Ragué Schleyer, Andrzej Sawaryn, Alan E. Reed, Pavel Hobza

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 667 KB

english, 1986

99

MM2 study of 20-hydroxy-4,7,13,16-tetraoxa-1,10-diazabicyclo [8,8,3] heneicosane and its formation controlled by hydrogen bonding

Ivan Stibor, Petr Holý, Pavel Hobza, Petr Čársky

Journal:

Journal of Computational Chemistry

Year:

1990

Language:

english

File:

PDF, 610 KB

english, 1990

100

Interaction of Lysine-Alanine-Alanine tripeptide with a fragment of DNA: An empirical potential study

Pavel Hobza, Dana Nachtigallová, Zdeněk Havlas, Petr Maloň, Jaroslav Šponar

Journal:

Journal of Computational Chemistry

Year:

1991

Language:

english

File:

PDF, 609 KB

english, 1991