Daniel Svozil

发表

Automatic workflow for the classification of local DNA conformations

Bohdan Schneider, Petr Cech, Jaromir Kukal, 2013, BMC Bioinformatics.

Activity-driven exploration of chemical space with morphing

Daniel Svozil, David Hoksza, Martin Sicho, 2015, 2015 IEEE International Conference on Bioinformatics and Biomedicine (BIBM).

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

Daniel Svozil, Andreas Bender, Isidro Cortés-Ciriano, 2020, Journal of Cheminformatics.

SETTER - RNA SEcondary sTructure-based TERtiary Structure Similarity Algorithm

Daniel Svozil, David Hoksza, 2011, ISBRA.

Exploration of Chemical Space with Morphing

Daniel Svozil, David Hoksza, Martin Sfcho, 2015 .

Neural Network Prediction of the Solvatochromic Polarity/Polarizability Parameter PiH2[S_EL2;quad]

Daniel Svozil, Vladimir Kvasnicka, Jirí G. K. Sevvík, 1997, J. Chem. Inf. Comput. Sci..

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

Daniel Svozil, Ya Chen, Johannes Kirchmair, 2019, Bioinform..

Automatic workflow for the classification of local

Bohdan Schneider, Jaromír Kukal, Daniel Svozil, 2013 .

MultiSETTER: web server for multiple RNA structure comparison

Petr Cech, Daniel Svozil, David Hoksza, 2015, BMC Bioinformatics.

Multiple 3D RNA Structure Superposition Using Neighbor Joining

Daniel Svozil, David Hoksza, D. Svozil, 2015, IEEE/ACM Transactions on Computational Biology and Bioinformatics.

Molpher: a software framework for systematic chemical space exploration

Daniel Svozil, David Hoksza, Petr Skoda, 2014, Journal of Cheminformatics.

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

Daniel Svozil, Milan Voršilák, D. Svozil, 2017, Journal of Cheminformatics.

SYBA: Bayesian estimation of synthetic accessibility of organic compounds

Daniel Svozil, Milan Voršilák, Michal Kolář, 2020, Journal of Cheminformatics.

SETTER: web server for RNA structure comparison

Petr Cech, Daniel Svozil, David Hoksza, 2012, Nucleic Acids Res..

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

Daniel Svozil, Alessandro Pedretti, Johannes Kirchmair, 2019, J. Chem. Inf. Model..

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

Daniel Svozil, Jiri Pospichal, Vladimir Kvasnicka, 1995, J. Chem. Inf. Comput. Sci..

Exploration of Chemical Space by Molecular Morphing

Daniel Svozil, David Hoksza, 2011, 2011 IEEE 11th International Conference on Bioinformatics and Bioengineering.

InCHlib – interactive cluster heatmap for web applications

Daniel Svozil, Ctibor Skuta, Petr Bartunek, 2014, Journal of Cheminformatics.

A DNA structural alphabet provides new insight into DNA flexibility

Bohdan Schneider, Daniel Svozil, Jiří Černý, 2018, Acta crystallographica. Section D, Structural biology.

Introduction to multi-layer feed-forward neural networks

Daniel Svozil, Jiri Pospichal, Vladimír Kvasnička, 1997 .

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

Daniel Svozil, Nina Jeliazkova, Johannes Kirchmair, 2019, Front. Chem..

MultiSETTER - Multiple RNA Structure Similarity Algorithm

Daniel Svozil, David Hoksza, Peter Szépe, 2013, BSB.

mmView: a web-based viewer of the mmCIF format

Daniel Svozil, Petr Čech, D. Svozil, 2011, BMC Research Notes.

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

Daniel Svozil, Johannes Kirchmair, Conrad Stork, 2017, J. Chem. Inf. Model..

Efficient RNA pairwise structure comparison by SETTER method

Daniel Svozil, David Hoksza, D. Svozil, 2012, Bioinform..

GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics

Daniel Svozil, Martin Šícho, Xuhan Liu, 2021, Journal of Cheminformatics.

Refinement of the AMBER force field for nucleic acids: improving the description of alpha/gamma conformers.

Daniel Svozil, Charles A Laughton, Modesto Orozco, 2007, Biophysical journal.

DNA conformations and their sequence preferences

Daniel Svozil, Jan Kalina, Marek Omelka, 2008, Nucleic acids research.

Geometrical and electronic structure variability of the sugar-phosphate backbone in nucleic acids.

Daniel Svozil, F. J. Luque, Modesto Orozco, 2008, The journal of physical chemistry. B.

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

Daniel Svozil, Michal Otyepka, Arnošt Mládek, 2012, Physical chemistry chemical physics : PCCP.

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

Daniel Svozil, D. Svozil, F. Opekar, 1995 .

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

Daniel Svozil, Jindrich Jindrich, Ctibor Skuta, 2017, Nature Methods.

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.

Daniel Svozil, Pavel Hobza, Petr Jurecka, 2010, Physical chemistry chemical physics : PCCP.

Bioinformatic analysis of the protein/DNA interface

Daniel Svozil, Jean-Christophe Gelly, Jiří Černý, 2011, Nucleic acids research.

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

Daniel Svozil, Michal Otyepka, Arnošt Mládek, 2012, Journal of chemical theory and computation.