David Sehnal
David Sehnal
E-mailová adresa ověřena na: mail.muni.cz - Domovská stránka
Název
Citace
Citace
Rok
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), 1-13, 2013
2142013
Protein Data Bank: the single global archive for 3D macromolecular structure data
Nucleic acids research 47 (D1), D520-D528, 2019
2132019
Mol*: Towards a Common Library and Tools for Web Molecular Graphics.
D Sehnal, AS Rose, J Koca, SK Burley, S Velankar
MolVa@ EuroVis, 29-33, 2018
1382018
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
1142012
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), 1121-1122, 2017
1042017
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
972018
Anatomy of enzyme channels
L Pravda, K Berka, RS Vařeková, D Sehnal, P Banáš, RA Laskowski, ...
BMC bioinformatics 15 (1), 1-8, 2014
762014
Anatomy of enzyme channels
L Pravda, K Berka, RS Vařeková, D Sehnal, P Banáš, RA Laskowski, ...
BMC bioinformatics 15 (1), 1-8, 2014
762014
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, 2018
662018
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
602011
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
602011
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
602011
PDBe: improved findability of macromolecular structure data in the PDB
DR Armstrong, JM Berrisford, MJ Conroy, A Gutmanas, S Anyango, ...
Nucleic acids research 48 (D1), D335-D343, 2020
482020
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), 1-13, 2015
442015
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, 2015
252015
Mol* Viewer: modern web app for 3D visualization and analysis of large biomolecular structures
D Sehnal, S Bittrich, M Deshpande, R Svobodová, K Berka, V Bazgier, ...
Nucleic Acids Research, 2021
202021
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, 2018
202018
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
202015
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), 1-15, 2013
192013
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
162012
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Články 1–20