Svozil, Daniel: search on Z-Library

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1

Introduction to multi-layer feed-forward neural networks

Daniel Svozil, Vladimír Kvasnicka, Jir̂í Pospichal

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

1997

Language:

english

File:

PDF, 1.98 MB

english, 1997

2

Nonpher: computational method for design of hard-to-synthesize structures

Milan Voršilák,Daniel Svozil

Journal:

Journal of Cheminformatics

Year:

2017

Language:

english

File:

PDF, 1.20 MB

english, 2017

3

The DNA and RNA sugar–phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies

Šponer, Jiří, Mládek, Arnošt, Šponer, Judit E., Svozil, Daniel, Zgarbová, Marie, Banáš, Pavel, Jurečka, Petr, Otyepka, Michal

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.78 MB

english, 2012

4

Unravelling Protein-Protein Interaction Networks Linked to Aliphatic and Indole Glucosinolate Biosynthetic Pathways in Arabidopsis

Nintemann, Sebastian J., Vik, Daniel, Svozil, Julia, Bak, Michael, Baerenfaller, Katja, Burow, Meike, Halkier, Barbara A.

Journal:

Frontiers in Plant Science

Year:

2017

Language:

english

File:

PDF, 2.28 MB

english, 2017

5

Can X-Ray Powder Diffraction Be a Suitable Forensic Method for Illicit Drug Identification?

JurÃ¡sek, Bronislav, BartÅ¯nÄk, VilÃ©m, Huber, Å tÄpÃ¡n, Fagan, Patrik, SetniÄka, VladimÃr, KrÃ¡lÃk, FrantiÅ¡ek, Dehaen, Wim, Svozil, Daniel, KuchaÅ, Martin

Journal:

Frontiers in Chemistry

Year:

2020

File:

PDF, 1.22 MB

2020

6

mmView: a web-based viewer of the mmCIF format

Petr Čech, Daniel Svozil

Journal:

BMC Research Notes

Year:

2011

Language:

english

File:

PDF, 1.40 MB

english, 2011

7

InCHlib – interactive cluster heatmap for web applications

Škuta, Ctibor, Bartůněk, Petr, Svozil, Daniel

Journal:

Journal of Cheminformatics

Year:

2014

Language:

english

File:

PDF, 1.40 MB

english, 2014

8

Macro-invertebrate species diversity as a potential universal measure of wetland ecosystem integrity in constructed wetlands in South East Melbourne

Awal, Sadiqul, Svozil, Daniel

Journal:

Aquatic Ecosystem Health and Management

Year:

2010

Language:

english

File:

PDF, 311 KB

english, 2010

9

FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity

Šícho, Martin, de Bruyn Kops, Christina, Stork, Conrad, Svozil, Daniel, Kirchmair, Johannes

Journal:

Journal of Chemical Information and Modeling

Year:

2017

Language:

english

File:

PDF, 3.52 MB

english, 2017

10

FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes

Šícho, Martin, Stork, Conrad, Mazzolari, Angelica, de Bruyn Kops, Christina, Pedretti, Alessandro, Testa, Bernard, Vistoli, Giulio, Svozil, Daniel, Kirchmair, Johannes

Journal:

Journal of Chemical Information and Modeling

Year:

2019

Language:

english

File:

PDF, 1.46 MB

english, 2019

11

Bioinformatic Analysis of the Protein/DNA Interface

Schneider, Bohdan, Černý, Jiří, Svozil, Daniel, Joseph, Agnel Praveen, Gelly, Jean-Christophe, de Brevern, Alexandre G.

Journal:

Biophysical Journal

Year:

2011

Language:

english

File:

PDF, 37 KB

english, 2011

12

The application of piecewise direct standardisation with variable selection to the correction of drift in inductively coupled atomic emission spectrometry

Griffiths, Michael L., Svozil, Daniel, Worsfold, Paul, Hywel Evans, E.

Journal:

Journal of Analytical Atomic Spectrometry

Year:

2006

Language:

english

File:

PDF, 618 KB

english, 2006

13

Electron Binding to Nucleic Acid Bases. Experimental and Theoretical Studies. A Review

Svozil, Daniel, Jungwirth, Pavel, Havlas, Zdeněk

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2004

Language:

english

File:

PDF, 410 KB

english, 2004

14

Refinement of the AMBER Force Field for Nucleic Acids: Improving the Description of α/γ Conformers

Alberto Pérez, Iván Marchán, Daniel Svozil, Jiri Sponer, Thomas E. Cheatham III, Charles A. Laughton, Modesto Orozco

Journal:

Biophysical Journal

Year:

2007

Language:

english

File:

PDF, 1.52 MB

english, 2007

15

A DNA Structural Alphabet Distinguishes Structural Features of DNA Bound to Regulatory Proteins and in the Nucleosome Core Particle

Schneider, Bohdan, Božíková, Paulína, Čech, Petr, Svozil, Daniel, Černý, Jiří

Journal:

Year:

2017

Language:

english

File:

PDF, 2.20 MB

english, 2017

16

Comparison of traditional and multivariate calibration techniques applied to complex matrices using inductively coupled plasma atomic emission spectroscopy

Griffiths, Mike L., Svozil, Daniel, Worsfold, Paul J., Denham, Sue, Hywel Evans, E.

Journal:

Journal of Analytical Atomic Spectrometry

Year:

2000

Language:

english

File:

PDF, 211 KB

english, 2000

17

Variable reduction algorithm for atomic emission spectra: application to multivariate calibration and quantitative analysis of industrial samples

Griffiths, Michael L., Svozil, Daniel, Worsfold, Paul, Denham, Sue, Hywel Evans, E.

Journal:

Journal of Analytical Atomic Spectrometry

Year:

2002

Language:

english

File:

PDF, 426 KB

english, 2002

18

Neural Network Prediction of Carbon-13 NMR Chemical Shifts of Alkanes

Svozil, Daniel, Pospichal, Jiri, Kvasnicka, Vladimir

Journal:

Journal of Chemical Information and Modeling

Year:

1995

Language:

english

File:

PDF, 505 KB

english, 1995

19

Multiple 3D RNA Structure Superposition Using Neighbor Joining

Hoksza, David, Svozil, Daniel

Journal:

IEEE/ACM Transactions on Computational Biology and Bioinformatics

Year:

2015

Language:

english

File:

PDF, 1.39 MB

english, 2015

20

SYBA: Bayesian estimation of synthetic accessibility of organic compounds

VorÅ¡ilÃ¡k, Milan, KolÃ¡Å, Michal, Ämelo, Ivan, Svozil, Daniel

Journal:

Journal of Cheminformatics

Year:

2020

File:

PDF, 3.12 MB

2020

21

MultiSETTER: web server for multiple RNA structure comparison

Čech, Petr, Hoksza, David, Svozil, Daniel

Journal:

BMC Bioinformatics

Year:

2015

Language:

english

File:

PDF, 1.76 MB

english, 2015

22

Can We Accurately Describe the Structure of Adenine Tracts in B-DNA? Reference Quantum-Chemical Computations Reveal Overstabilization of Stacking by Molecular Mechanics

Banáš, Pavel, Mládek, Arnošt, Otyepka, Michal, Zgarbová, Marie, Jurečka, Petr, Svozil, Daniel, Lankaš, Filip, Šponer, Jiří

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 4.17 MB

english, 2012

23

Automatic workflow for the classification of local DNA conformations

Petr Čech, Jaromír Kukal, Jiří Černý, Bohdan Schneider, Daniel Svozil

Journal:

BMC Bioinformatics

Year:

2013

Language:

english

File:

PDF, 692 KB

english, 2013

24

[IEEE 2015 IEEE International Conference on Bioinformatics and Biomedicine (BIBM) - Washington, DC, USA (2015.11.9-2015.11.12)] 2015 IEEE International Conference on Bioinformatics and Biomedicine (BIBM) - Activity-driven exploration of chemical space with morphing

Sicho, Martin, Svozil, Daniel, Hoksza, David

Year:

2015

Language:

english

File:

PDF, 659 KB

english, 2015

25

Balance of Attraction and Repulsion in Nucleic-Acid Base Stacking: CCSD(T)/Complete-Basis-Set-Limit Calculations on Uracil Dimer and a Comparison with the Force-Field Description

Morgado, Claudio A., Jurečka, Petr, Svozil, Daniel, Hobza, Pavel, Šponer, Jiří

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 6.60 MB

english, 2009

26

Valence- and Dipole-Bound Anions of the Thymine−Water Complex: Ab Initio Characterization of the Potential Energy Surfaces †

Frigato, Tomaso, Svozil, Daniel, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 261 KB

english, 2006

27

Comparison of Intrinsic Stacking Energies of Ten Unique Dinucleotide Steps in A-RNA and B-DNA Duplexes. Can We Determine Correct Order of Stability by Quantum-Chemical Calculations?

Svozil, Daniel, Hobza, Pavel, Šponer, Jiří

Journal:

Journal of Physical Chemistry B

Year:

2010

File:

PDF, 16 KB

2010

28

Ab initio electronic structure of thymine anions

Svozil, Daniel, Frigato, Tomaso, Havlas, Zden?k, Jungwirth, Pavel

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 568 KB

english, 2005

29

GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism

de Bruyn Kops, Christina, Stork, Conrad, Šícho, Martin, Kochev, Nikolay, Svozil, Daniel, Jeliazkova, Nina, Kirchmair, Johannes

Journal:

Frontiers in Chemistry

Year:

2019

Language:

english

File:

PDF, 1.89 MB

english, 2019

30

QSAR-derived affinity fingerprints (part 2): modeling performance for potency prediction

CortÃ©s-Ciriano, Isidro, Å kuta, Ctibor, Bender, Andreas, Svozil, Daniel

Journal:

Journal of Cheminformatics

Year:

2020

File:

PDF, 6.32 MB

2020

31

Geometrical and Electronic Structure Variability of the Sugar−phosphate Backbone in Nucleic Acids

Svozil, Daniel, Šponer, Judit E., Marchan, Ivan, Pérez, Alberto, Cheatham, Thomas E., Forti, F., Luque, F. Javier, Orozco, Modesto, Šponer, Jiří

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 468 KB

english, 2008

32

Conformational Energies of DNA Sugar−Phosphate Backbone: Reference QM Calculations and a Comparison with Density Functional Theory and Molecular Mechanics

Mládek, Arnošt, Šponer, Judit E., Jurečka, Petr, Banáš, Pavel, Otyepka, Michal, Svozil, Daniel, Šponer, Jiří

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 2.97 MB

english, 2010

33

New psychoactive substances on dark web markets: from deal solicitation to forensic analysis of purchased substances

JurÃ¡sek, Bronislav, Ämelo, Ivan, Svoboda, Jan, Äejka, Jan, Svozil, Daniel, KuchaÅ, Martin

Journal:

Drug Testing and Analysis

Year:

2020

File:

PDF, 1.18 MB

2020

34

Comparison of Intrinsic Stacking Energies of Ten Unique Dinucleotide Steps in A-RNA and B-DNA Duplexes. Can We Determine Correct Order of Stability by Quantum-Chemical Calculations?

Svozil, Daniel, Hobza, Pavel, Šponer, Jiří

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 700 KB

english, 2010

35

Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptions

Morgado, Claudio A., Jurečka, Petr, Svozil, Daniel, Hobza, Pavel, Šponer, Jiří

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.87 MB

english, 2010

36

GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism

de Bruyn Kops, Christina, Stork, Conrad, Šícho, Martin, Kochev, Nikolay, Svozil, Daniel, Jeliazkova, Nina, Kirchmair, Johannes

Journal:

Frontiers in Chemistry

Year:

2019

File:

PDF, 1.89 MB

2019

37

General Base Catalysis for Cleavage by the Active-Site Cytosine of the Hepatitis Delta Virus Ribozyme: QM/MM Calculations Establish Chemical Feasibility

Banáš, Pavel, Rulíšek, Lubomír, Hánošová, Veronika, Svozil, Daniel, Walter, Nils G., Šponer, Jiří, Otyepka, Michal

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 1.69 MB

english, 2008

38

Cluster Model for the Ionic Product of Water: Accuracy and Limitations of Common Density Functional Methods

Svozil, Daniel, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 105 KB

english, 2006

39

Morphological predictors of swimming speed performance in river and reservoir populations of Australian smelt Retropinna semoni

Svozil, Daniel Phillip, Baumgartner, Lee J., Fulton, Christopher J., Kopf, Richard Keller, Watts, Robyn J.

Journal:

Journal of Fish Biology

Year:

2020

File:

PDF, 1.00 MB

2020

40

Electric resistance in a Nafion® membrane exposed to air after a step change in the relative humidity

František Opekar, Daniel Svozil

Journal:

Journal of Electroanalytical Chemistry

Year:

1995

Language:

english

File:

PDF, 245 KB

english, 1995

41

Comment on “Computational Model for Predicting Experimental RNA and DNA Nearest-Neighbor Free Energy Rankings”

Šponer, Jiří, Morgado, Claudio A., Svozil, Daniel

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 145 KB

english, 2012

42

Developing and Implementing a Combined Chemistry and Informatics Curriculum for Undergraduate and Graduate Students in the Czech Republic

Jirát, Jiří, Čech, Petr, Znamenáček, Jiří, Šimek, Miroslav, Škuta, Ctibor, Vaněk, Tomáš, Dibuszová, Eva, Nič, Miloslav, Svozil, Daniel

Journal:

Journal of Chemical Education

Year:

2013

Language:

english

File:

PDF, 166 KB

english, 2013

43

Probes & Drugs portal: an interactive, open data resource for chemical biology

Skuta, Ctibor, Popr, Martin, Muller, Tomas, Jindrich, Jindrich, Kahle, Michal, Sedlak, David, Svozil, Daniel, Bartunek, Petr

Journal:

Year:

2017

Language:

english

File:

PDF, 1.01 MB

english, 2017

44

NERDD: A web portal providing access to in silico tools for drug discovery

Stork, Conrad, Embruch, Gerd, Šícho, Martin, Kops, Christina de Bruyn, Chen, Ya, Svozil, Daniel, Kirchmair, Johannes, Ponty, Yann

Journal:

Year:

2019

Language:

english

File:

PDF, 188 KB

english, 2019

45

Molpher: a software framework for systematic chemical space exploration

Hoksza, David, Škoda, Petr, Voršilák, Milan, Svozil, Daniel

Journal:

Journal of Cheminformatics

Year:

2014

Language:

english

File:

PDF, 1.02 MB

english, 2014

46

[IEEE Bioengineering (BIBE) - Taichung, Taiwan (2011.10.24-2011.10.26)] 2011 IEEE 11th International Conference on Bioinformatics and Bioengineering - Exploration of Chemical Space by Molecular Morphing

Hoksza, David, Svozil, Daniel

Year:

2011

Language:

english

File:

PDF, 773 KB

english, 2011

47

Benchmark quantum-chemical calculations on a complete set of rotameric families of the DNA sugar–phosphate backbone and their comparison with modern density functional theory

Mládek, Arnošt, Krepl, Miroslav, Svozil, Daniel, Čech, Petr, Otyepka, Michal, Banáš, Pavel, Zgarbová, Marie, Jurečka, Petr, Šponer, Jiří

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.14 MB

english, 2013

48

Understanding the role of base stacking in nucleic acids. MD and QM analysis of tandem GA base pairs in RNA duplexes

Morgado, Claudio A., Svozil, Daniel, Turner, Douglas H., Šponer, Jiří

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.55 MB

english, 2012

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