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Daniel Svozil
Daniel Svozil
Ukjent tilknytning
Verifisert e-postadresse på vscht.cz - Startside
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Sitert av
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Refinement of the AMBER force field for nucleic acids: improving the description of α/γ conformers
A Pérez, I Marchán, D Svozil, J Sponer, TE Cheatham III, CA Laughton, ...
Biophysical journal 92 (11), 3817-3829, 2007
23792007
Introduction to multi-layer feed-forward neural networks
D Svozil, V Kvasnicka, J Pospichal
Chemometrics and intelligent laboratory systems 39 (1), 43-62, 1997
20221997
DNA conformations and their sequence preferences
D Svozil, J Kalina, M Omelka, B Schneider
Nucleic Acids Research 36 (11), 3690-3706, 2008
2362008
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 …
D Svozil, P Hobza, J Šponer
The Journal of Physical Chemistry B 114 (2), 1191-1203, 2009
1162009
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 …
CA Morgado, P Jurečka, D Svozil, P Hobza, J Šponer
Physical Chemistry Chemical Physics 12 (14), 3522-3534, 2010
972010
The DNA and RNA sugar–phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies
J Šponer, A Mládek, JE Šponer, D Svozil, M Zgarbova, P Banáš, ...
Physical Chemistry Chemical Physics 14 (44), 15257-15277, 2012
952012
SYBA: Bayesian estimation of synthetic accessibility of organic compounds
M Voršilák, M Kolář, I Čmelo, D Svozil
Journal of Cheminformatics 12, 1-13, 2020
842020
FAME 3: predicting the sites of metabolism in synthetic compounds and natural products for phase 1 and phase 2 metabolic enzymes
M Šícho, C Stork, A Mazzolari, C de Bruyn Kops, A Pedretti, B Testa, ...
Journal of chemical information and modeling 59 (8), 3400-3412, 2019
792019
Can we accurately describe the structure of adenine tracts in B-DNA? Reference quantum-chemical computations reveal overstabilization of stacking by molecular mechanics
P Banáš, A Mládek, M Otyepka, M Zgarbová, P Jurečka, D Svozil, ...
Journal of chemical theory and computation 8 (7), 2448-2460, 2012
772012
InCHlib–interactive cluster heatmap for web applications
C Škuta, P Bartůněk, D Svozil
Journal of cheminformatics 6 (1), 44, 2014
672014
Probes & drugs portal: an interactive, open data resource for chemical biology
C Skuta, M Popr, T Muller, J Jindrich, M Kahle, D Sedlak, D Svozil, ...
Nature methods 14 (8), 759, 2017
652017
Geometrical and Electronic Structure Variability of the Sugar− phosphate Backbone in Nucleic Acids
D Svozil, JE Šponer, I Marchan, A Pérez, TE Cheatham Iii, F Forti, ...
The Journal of Physical Chemistry B 112 (27), 8188-8197, 2008
642008
GLORY: generator of the structures of likely cytochrome P450 metabolites based on predicted sites of metabolism
C de Bruyn Kops, C Stork, M Šícho, N Kochev, D Svozil, N Jeliazkova, ...
Frontiers in chemistry 7, 402, 2019
632019
NERDD: A web portal providing access to in silico tools for drug discovery
C Stork, G Embruch, M Šícho, C de Bruyn Kops, Y Chen, D Svozil, ...
Bioinformatics 36 (4), 1291-1292, 2020
572020
FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity
M Šícho, C de Bruyn Kops, C Stork, D Svozil, J Kirchmair
Journal of chemical information and modeling 57 (8), 1832-1846, 2017
532017
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
CA Morgado, P Jurecka, D Svozil, P Hobza, J Šponer
Journal of chemical theory and computation 5 (6), 1524-1544, 2009
512009
Neural network prediction of carbon-13 NMR chemical shifts of alkanes
D Svozil, J Pospichal, V Kvasnicka
Journal of chemical information and computer sciences 35 (5), 924-928, 1995
511995
General base catalysis for cleavage by the active-site cytosine of the hepatitis delta virus ribozyme: QM/MM calculations establish chemical feasibility
P Banáš, L Rulíšek, V Hánošová, D Svozil, NG Walter, J Šponer, ...
The journal of physical chemistry B 112 (35), 11177-11187, 2008
492008
Electron binding to nucleic acid bases. Experimental and theoretical studies. A review
D Svozil, P Jungwirth, Z Havlas
Collection of Czechoslovak chemical communications 69 (7), 1395-1428, 2004
472004
Neural network prediction of the solvatochromic polarity/polarizability parameter
D Svozil, JGK Ševčík, V Kvasnicka
Journal of chemical information and computer sciences 37 (2), 338-342, 1997
471997
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Artikler 1–20