David Sehnal
David Sehnal
Verified email at mail.muni.cz - Homepage
TitleCited byYear
MOLE 2.0: advanced approach for analysis of biomacromolecular channels
D Sehnal, RS Vařeková, K Berka, L Pravda, V Navrátilová, P Banáš, ...
Journal of cheminformatics 5 (1), 39, 2013
1502013
MOLEonline 2.0: interactive web-based analysis of biomacromolecular channels
K Berka, O Hanák, D Sehnal, P Banáš, V Navratilova, D Jaiswal, ...
Nucleic acids research 40 (W1), W222-W227, 2012
862012
Predicting pKa Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes
R Svobodová Vařeková, S Geidl, CM Ionescu, O Skrehota, M Kudera, ...
Journal of chemical information and modeling 51 (8), 1795-1806, 2011
502011
Predicting pKa Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes
R Svobodová Vařeková, S Geidl, CM Ionescu, O Skrehota, M Kudera, ...
Journal of chemical information and modeling 51 (8), 1795-1806, 2011
502011
Predicting pKa Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes
R Svobodová Vařeková, S Geidl, CM Ionescu, O Skrehota, M Kudera, ...
Journal of chemical information and modeling 51 (8), 1795-1806, 2011
502011
Anatomy of enzyme channels
L Pravda, K Berka, RS Vařeková, D Sehnal, P Banáš, RA Laskowski, ...
BMC bioinformatics 15 (1), 379, 2014
432014
Anatomy of enzyme channels
L Pravda, K Berka, RS Vařeková, D Sehnal, P Banáš, RA Laskowski, ...
BMC bioinformatics 15 (1), 379, 2014
432014
LiteMol suite: interactive web-based visualization of large-scale macromolecular structure data
D Sehnal, M Deshpande, RS Vařeková, S Mir, K Berka, A Midlik, L Pravda, ...
Nature methods 14 (12), 1121, 2017
422017
PDBe: towards reusable data delivery infrastructure at protein data bank in Europe
S Mir, Y Alhroub, S Anyango, DR Armstrong, JM Berrisford, AR Clark, ...
Nucleic acids research 46 (D1), D486-D492, 2017
292017
Protein Data Bank: the single global archive for 3D macromolecular structure data
Nucleic acids research 47 (D1), D520-D528, 2018
272018
AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules
CM Ionescu, D Sehnal, FL Falginella, P Pant, L Pravda, T Bouchal, ...
Journal of cheminformatics 7 (1), 50, 2015
212015
ValidatorDB: database of up-to-date validation results for ligands and non-standard residues from the Protein Data Bank
D Sehnal, R Svobodová Vařeková, L Pravda, CM Ionescu, S Geidl, ...
Nucleic acids research 43 (D1), D369-D375, 2014
192014
SiteBinder: an improved approach for comparing multiple protein structural motifs
D Sehnal, RS Vařeková, HJ Huber, S Geidl, CM Ionescu, M Wimmerová, ...
Journal of chemical information and modeling 52 (2), 343-359, 2012
172012
Predicting p K a values from EEM atomic charges
RS Vařeková, S Geidl, CM Ionescu, O Skřehota, T Bouchal, D Sehnal, ...
Journal of cheminformatics 5 (1), 18, 2013
152013
MOLEonline: a web-based tool for analyzing channels, tunnels and pores (2018 update)
L Pravda, D Sehnal, D Toušek, V Navrátilová, V Bazgier, K Berka, ...
Nucleic acids research 46 (W1), W368-W373, 2018
142018
ChannelsDB: database of biomacromolecular tunnels and pores
L Pravda, D Sehnal, R Svobodová Vařeková, V Navrátilová, D Toušek, ...
Nucleic acids research 46 (D1), D399-D405, 2017
122017
PatternQuery: web application for fast detection of biomacromolecular structural patterns in the entire Protein Data Bank
D Sehnal, L Pravda, R Svobodová Vařeková, CM Ionescu, J Koča
Nucleic acids research 43 (W1), W383-W388, 2015
122015
MotiveValidator: interactive web-based validation of ligand and residue structure in biomolecular complexes
RS Vařeková, D Jaiswal, D Sehnal, CM Ionescu, S Geidl, L Pravda, ...
Nucleic acids research 42 (W1), W227-W233, 2014
112014
MotiveValidator: interactive web-based validation of ligand and residue structure in biomolecular complexes
RS Vařeková, D Jaiswal, D Sehnal, CM Ionescu, S Geidl, L Pravda, ...
Nucleic acids research 42 (W1), W227-W233, 2014
112014
QSPR designer–a program to design and evaluate QSPR models. Case study on pK a prediction
O Skřehota, RS Vařeková, S Geidl, M Kudera, D Sehnal, CM Ionescu, ...
Journal of cheminformatics 3 (1), P16, 2011
52011
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