| 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 | 2404 | 2007 |
| Introduction to multi-layer feed-forward neural networks D Svozil, V Kvasnicka, J Pospichal Chemometrics and intelligent laboratory systems 39 (1), 43-62, 1997 | 2081 | 1997 |
| DNA conformations and their sequence preferences D Svozil, J Kalina, M Omelka, B Schneider Nucleic Acids Research 36 (11), 3690-3706, 2008 | 244 | 2008 |
| 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 | 118 | 2009 |
| 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 | 98 | 2010 |
| 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 | 95 | 2012 |
| SYBA: Bayesian estimation of synthetic accessibility of organic compounds M Voršilák, M Kolář, I Čmelo, D Svozil Journal of Cheminformatics 12, 1-13, 2020 | 90 | 2020 |
| 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 | 82 | 2019 |
| 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 | 78 | 2012 |
| 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 | 69 | 2017 |
| InCHlib–interactive cluster heatmap for web applications C Škuta, P Bartůněk, D Svozil Journal of cheminformatics 6 (1), 44, 2014 | 67 | 2014 |
| 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 | 66 | 2020 |
| 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 | 65 | 2008 |
| 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 | 64 | 2019 |
| 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 | 56 | 2017 |
| 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 | 52 | 2009 |
| 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 | 50 | 1995 |
| 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 | 49 | 2008 |
| 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 | 48 | 2004 |
| 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 | 47 | 1997 |
Bohdan SchneiderHead of Laboratory of Biomolecular Rcognition and Dir, Institute of Biotechnology, Czech Academy在 ibt.cas.cz 的电子邮件经过验证
