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1

Dispersion Interactions Govern the Strong Thermal Stability of a Protein

Jiří Vondrášek, Tomáš Kubař, Francis E. Jenney Jr., Michael W. W. Adams, Milan Kožíšek, Jiří Černý, Vladimír Sklenář, Pavel Hobza

Journal:

Chemistry - A European Journal

Année:

2007

Langue:

english

Fichier:

PDF, 404 KB

english, 2007

2

The Family Affluence Scale as an Indicator for Socioeconomic Status: Validation on Regional Income Differences in the Czech Republic

Hobza, Vladimir, Hamrik, Zdenek, Bucksch, Jens, De Clercq, Bart

Journal:

International Journal of Environmental Research and Public Health

Année:

2017

Langue:

english

Fichier:

PDF, 305 KB

english, 2017

3

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

Vladimír Špirko, Pavel Hobza

Journal:

Année:

2006

Langue:

english

Fichier:

PDF, 130 KB

english, 2006

4

Vibrational dynamics of the benzene…argon complex

Ota Bludský, Vladimír S̆pirko, Vojtĕch Hrouda, Pavel Hobza

Journal:

Chemical Physics Letters

Année:

1992

Langue:

english

Fichier:

PDF, 495 KB

english, 1992

5

Prognostic Impact of Hemoglobin Level Prior to Radiotherapy on Survival in Patients with Glioblastoma

Karel Odrazka, Jiri Petera, Tereza Kohlova, Martin Dolezel, Miloslava Vaculikova, Milan Zouhar, Vaclav Malek, Vladimir Hobza, Ivan Latr, Stanislav Nemecek, Miroslav Sercl, Pavel Ryska, Milan Blaha, Ev

Journal:

Strahlentherapie und Onkologie

Année:

2003

Fichier:

PDF, 233 KB

2003

6

Choroid plexus cyst of the left lateral ventricle with intermittent blockage of the foramen of Monro, and initial invagination into the III ventricle in a child

Pařízek, J., Hobza, Vladimír, Němeček, Stanislav, Šuba, Petr, ŽiŽka, Jan, Špaček, Josef, Jakubec, Josef, Němečková, Jana, Černoch, Zdeněk, Šercl, Miroslav

Journal:

Child's Nervous System

Année:

1998

Langue:

english

Fichier:

PDF, 551 KB

english, 1998

7

Theoretical Calculation of the NMR Spin−Spin Coupling Constants and the NMR Shifts Allow Distinguishability between the Specific Direct and the Water-Mediated Binding of a Divalent Metal Cation to Guanine

Sychrovský, Vladimír, Šponer, Jiří, Hobza, Pavel

Journal:

Journal of the American Chemical Society

Année:

2004

Langue:

english

Fichier:

PDF, 283 KB

english, 2004

8

Anti-Hydrogen Bond in the Benzene Dimer and Other Carbon Proton Donor Complexes

Hobza, Pavel, Špirko, Vladimír, Selzle, Heinrich L., Schlag, Edward W.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 56 KB

english, 1998

9

Off-Center Gaussian Functions, an Alternative Atomic Orbital Basis Set for Accurate Noncovalent Interaction Calculations of Large Systems

Melicherčík, Miroslav, Pitoňák, Michal, Kellö, Vladimír, Hobza, Pavel, Neogrády, Pavel

Journal:

Journal of Chemical Theory and Computation

Année:

2013

Langue:

english

Fichier:

PDF, 1.90 MB

english, 2013

10

Assigning the NH Stretches of the Guanine Tautomers Using Adiabatic Separation: CCSD(T) Benchmark Calculations

Nachtigallová, Dana, Hobza, Pavel, Špirko, Vladimír

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 62 KB

english, 2008

11

Exploring the Structure of a DNA Hairpin with the Help of NMR Spin−Spin Coupling Constants: An Experimental and Quantum Chemical Investigation

Sychrovský, Vladimír, Vacek, Jaroslav, Hobza, Pavel, Žídek, Lukáš, Sklenář, Vladimír, Cremer, Dieter

Journal:

Journal of Physical Chemistry B

Année:

2002

Langue:

english

Fichier:

PDF, 233 KB

english, 2002

12

Improper, Blue-Shifting Hydrogen Bond between Fluorobenzene and Fluoroform †

Reimann, Bernd, Buchhold, Konstantin, Vaupel, Sascha, Brutschy, Bernhard, Havlas, Zdeněk, Špirko, Vladimír, Hobza, Pavel

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 76 KB

english, 2001

13

Theoretical study of photoacidity of HCN: the effect of complexation with water

Muchov?, Eva, ?pirko, Vladimir, Hobza, Pavel, Nachtigallov?, Dana

Journal:

Physical Chemistry Chemical Physics

Année:

2006

Langue:

english

Fichier:

PDF, 714 KB

english, 2006

14

The ab initio assigning of the vibrational probing modes of tryptophan: linear shifting of approximate anharmonic frequencies vs. multiplicative scaling of harmonic frequencies

Kabeláč, Martin, Hobza, Pavel, Špirko, Vladimír

Journal:

Physical Chemistry Chemical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 736 KB

english, 2009

15

Why is the N1–H stretch vibration frequency of guanine shifted upon dimerization to the red and the amino N–H stretch vibration frequency to the blue?

Hobza, Pavel, Špirko, Vladimír

Journal:

Physical Chemistry Chemical Physics

Année:

2003

Langue:

english

Fichier:

PDF, 212 KB

english, 2003

16

The structure and vibrational dynamics of the pyrrole dimer

Kabeláč, Martin, Hobza, Pavel, Špirko, Vladimír

Journal:

Physical Chemistry Chemical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 579 KB

english, 2009

17

The effect of water on NMR spin–spin couplings in DNA: Improvement of calculated values by application of two solvent models

Sychrovský, Vladimír, Schneider, Bohdan, Hobza, Pavel, Žídek, Lukáš, Sklenář, Vladimír

Journal:

Physical Chemistry Chemical Physics

Année:

2003

Langue:

english

Fichier:

PDF, 144 KB

english, 2003

18

Base Stacking and Hydrogen Bonding in Protonated Cytosine Dimer: The Role of Molecular ion-dipole and Induction Interactions

Šponer, Jiří, Leszczynski, Jerzy, Vetterl, Vladimír, Hobza, Pavel

Journal:

Journal of Biomolecular Structure and Dynamics

Année:

1996

Langue:

english

Fichier:

PDF, 913 KB

english, 1996

19

Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines

Hylsová, Michaela, Carbain, Benoit, Fanfrlík, Jindřich, Musilová, Lenka, Haldar, Susanta, Köprülüoğlu, Cemal, Ajani, Haresh, Brahmkshatriya, Pathik S., Jorda, Radek, Kryštof, Vladimír, Hobza, Pavel, E

Journal:

European Journal of Medicinal Chemistry

Année:

2017

Langue:

english

Fichier:

PDF, 1.48 MB

english, 2017

20

Structural Basis of the Interaction of Cyclin-Dependent Kinase 2 with Roscovitine and Its Analogues Having Bioisosteric Central Heterocycles

Nekardová, Michaela, Vymětalová, Ladislava, Khirsariya, Prashant, Kováčová, Silvia, Hylsová, Michaela, Jorda, Radek, Kryštof, Vladimír, Fanfrlík, Jindřich, Hobza, Pavel, Paruch, Kamil

Journal:

Année:

2017

Langue:

english

Fichier:

PDF, 2.59 MB

english, 2017

21

Imidazo[1,2- c ]pyrimidin-5(6 H )-one as a novel core of cyclin-dependent kinase 2 inhibitors: Synthesis, activity measurement, docking, and quantum mechanical scoring

Ajani, Haresh, Jansa, Josef, Köprülüoğlu, Cemal, Hobza, Pavel, Kryštof, Vladimír, Lyčka, Antonín, Lepsik, Martin

Journal:

Journal of Molecular Recognition

Année:

2018

Langue:

english

Fichier:

PDF, 2.48 MB

english, 2018

22

Trends and correlates of overweight/obesity in Czech adolescents in relation to family socioeconomic status over a 12-year study period (2002–2014)

Sigmund, Erik, Badura, Petr, Sigmundová, Dagmar, Voráčová, Jaroslava, Zacpal, Jiří, Kalman, Michal, Pavelka, Jan, Vokacová, Jana, Jr Hobza, Vladimír, Hamrik, Zdenek

Journal:

BMC Public Health

Année:

2018

Langue:

english

Fichier:

PDF, 479 KB

english, 2018