PDBsum: Structural summaries of PDB entries RA Laskowski, J Jabłońska, L Pravda, RS Vařeková, JM Thornton Protein science 27 (1), 129-134, 2018 | 1083 | 2018 |
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 | 679 | 2021 |
Protein Data Bank: the single global archive for 3D macromolecular structure data Nucleic acids research 47 (D1), D520-D528, 2019 | 638 | 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 | 324 | 2013 |
CATH: increased structural coverage of functional space I Sillitoe, N Bordin, N Dawson, VP Waman, P Ashford, HM Scholes, ... Nucleic acids research 49 (D1), D266-D273, 2021 | 305 | 2021 |
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 | 243 | 2018 |
Tools and data services registry: a community effort to document bioinformatics resources J Ison, K Rapacki, H Ménager, M Kalaš, E Rydza, P Chmura, C Anthon, ... Nucleic acids research 44 (D1), D38-D47, 2016 | 169 | 2016 |
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 | 152 | 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 | 148 | 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 | 138 | 2017 |
Four simple recommendations to encourage best practices in research software RC Jiménez, M Kuzak, M Alhamdoosh, M Barker, B Batut, M Borg, ... F1000Research 6, 2017 | 134 | 2017 |
Anatomy of enzyme channels L Pravda, K Berka, R Svobodová Vařeková, D Sehnal, P Banáš, ... BMC bioinformatics 15, 1-8, 2014 | 122 | 2014 |
PDBe-KB: a community-driven resource for structural and functional annotations M Varadi, J Berrisford, M Deshpande, SS Nair, A Gutmanas, D Armstrong, ... Nucleic Acids Research 48 (D1), D344-D353, 2020 | 75 | 2020 |
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 |
Outcome of the first wwPDB/CCDC/D3R ligand validation workshop PD Adams, K Aertgeerts, C Bauer, JA Bell, HM Berman, TN Bhat, ... Structure 24 (4), 502-508, 2016 | 69 | 2016 |
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 | 68 | 2015 |
Validation of ligands in macromolecular structures determined by X-ray crystallography OS Smart, V Horský, S Gore, R Svobodová Vařeková, V Bendová, ... Acta Crystallographica Section D: Structural Biology 74 (3), 228-236, 2018 | 63 | 2018 |
Electronegativity equalization method: parameterization and validation for large sets of organic, organohalogene and organometal molecule RS Vařeková, Z Jiroušková, J Vaněk, Š Suchomel, J Koča International Journal of Molecular Sciences 8 (7), 572-582, 2007 | 62 | 2007 |
The bio.tools registry of software tools and data resources for the life sciences J Ison, H Ienasescu, P Chmura, E Rydza, H Ménager, M Kalaš, ... Genome biology 20, 1-4, 2019 | 56 | 2019 |
Molecular evolution and diversification of the SMXL gene family TR Moturu, S Thula, RK Singh, T Nodzyński, RS Vařeková, J Friml, ... Journal of experimental botany 69 (9), 2367-2378, 2018 | 53 | 2018 |