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 49 (W1), W431-W437, 2021 | 765 | 2021 |
Protein Data Bank: the single global archive for 3D macromolecular structure data Nucleic acids research 47 (D1), D520-D528, 2019 | 681 | 2019 |
MOLE 2.0: advanced approach for analysis of biomacromolecular channels D Sehnal, R Svobodová Vařeková, K Berka, L Pravda, V Navrátilová, ... Journal of cheminformatics 5, 1-13, 2013 | 328 | 2013 |
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 | 256 | 2018 |
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 | 196 | 2018 |
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 | 160 | 2020 |
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 | 150 | 2012 |
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 | 137 | 2017 |
Anatomy of enzyme channels L Pravda, K Berka, R Svobodová Vařeková, D Sehnal, P Banáš, ... BMC bioinformatics 15, 1-8, 2014 | 129 | 2014 |
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 | 94 | 2018 |
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 | 72 | 2011 |
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, 1-13, 2015 | 70 | 2015 |
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 | 38 | 2018 |
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 | 37 | 2015 |
Rapidly display glycan symbols in 3D structures: 3D-SNFG in LiteMol D Sehnal, OC Grant Journal of proteome research 18 (2), 770-774, 2018 | 28 | 2018 |
MolVA’18: Proceedings of the Workshop on Molecular Graphics and Visual Analysis of Molecular Data, edited by J D Sehnal, AS Rose, J Koča, SK Burley, S Velankar Byška, M. Krone & B. Sommer, 29-33, 2018 | 28 | 2018 |
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 | 27 | 2015 |
Predicting pK a values from EEM atomic charges RS Vařeková, S Geidl, CM Ionescu, O Skřehota, T Bouchal, D Sehnal, ... Journal of cheminformatics 5, 1-15, 2013 | 25 | 2013 |
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 | 21 | 2012 |
PDBe and PDBe‐KB: Providing high‐quality, up‐to‐date and integrated resources of macromolecular structures to support basic and applied research and education M Varadi, S Anyango, SD Appasamy, D Armstrong, M Bage, J Berrisford, ... Protein Science 31 (10), e4439, 2022 | 20 | 2022 |