| Toward accurate conformational energies of smaller peptides and medium-sized macrocycles: MPCONF196 benchmark energy data set J Rezac, D Bím, O Gutten, L Rulisek Journal of chemical theory and computation 14 (3), 1254-1266, 2018 | 92 | 2018 |
| Predicting the stability constants of metal-ion complexes from first principles O Gutten, L Rulisek Inorganic Chemistry 52 (18), 10347-10355, 2013 | 72 | 2013 |
| Enzymatic preparation of 2′–5′, 3′–5′-cyclic dinucleotides, their binding properties to stimulator of interferon genes adaptor protein, and structure/activity correlations B Novotná, L Vaneková, M Zavrel, M Budesinsky, M Dejmek, M Smola, ... Journal of medicinal chemistry 62 (23), 10676-10690, 2019 | 52 | 2019 |
| Interaction of metal ions with biomolecular ligands: how accurate are calculated free energies associated with metal ion complexation? O Gutten, I Besseova, L Rulisek The Journal of Physical Chemistry A 115 (41), 11394-11402, 2011 | 49 | 2011 |
| Cyclam Derivatives with a Bis (phosphinate) or a Phosphinato–Phosphonate Pendant Arm: Ligands for Fast and Efficient Copper (II) Complexation for Nuclear Medical Applications T David, V Kubicek, O Gutten, P Lubal, J Kotek, HJ Pietzsch, L Rulisek, ... Inorganic Chemistry 54 (24), 11751-11766, 2015 | 42 | 2015 |
| Synthesis and biological evaluation of phosphoester and phosphorothioate prodrugs of STING agonist 3′, 3′-c-Di (2′ F, 2′ dAMP) M Pimková Polidarová, P Brehova, MM Kaiser, M Smola, M Dracinsky, ... Journal of Medicinal Chemistry 64 (11), 7596-7616, 2021 | 32 | 2021 |
| Ligand strain and its conformational complexity is a major factor in the binding of cyclic dinucleotides to STING protein M Smola, O Gutten, M Dejmek, M Kožíšek, T Evangelidis, ZA Tehrani, ... Angewandte Chemie International Edition 60 (18), 10172-10178, 2021 | 25 | 2021 |
| Macrocycle conformational sampling by DFT-D3/COSMO-RS methodology O Gutten, D Bim, J Rezac, L Rulisek Journal of Chemical Information and Modeling 58 (1), 48-60, 2018 | 21 | 2018 |
| Protein–Ligand Interactions in the STING Binding Site Probed by Rationally Designed Single-Point Mutations: Experiment and Theory Z Vavřina, O Gutten, M Smola, M Zavřel, Z Aliakbar Tehrani, V Charvat, ... Biochemistry 60 (8), 607-620, 2021 | 17 | 2021 |
| Predicting effects of site-directed mutagenesis on enzyme kinetics by QM/MM and QM calculations: a case of glutamate carboxypeptidase II D Bím, M Navrátil, O Gutten, J Konvalinka, Z Kutil, M Culka, V Navrátil, ... The Journal of Physical Chemistry B 126 (1), 132-143, 2022 | 13 | 2022 |
| Enzymatic synthesis of 3′–5′, 3′–5′ cyclic dinucleotides, their binding properties to the stimulator of interferon genes adaptor protein, and structure/activity correlations B Novotna, L Holá, M Stas, O Gutten, M Smola, M Zavrel, Z Vavrina, ... Biochemistry 60 (48), 3714-3727, 2021 | 10 | 2021 |
| How simple is too simple? Computational perspective on importance of second-shell environment for metal-ion selectivity O Gutten, L Rulíšek Physical Chemistry Chemical Physics 17 (22), 14393-14404, 2015 | 9 | 2015 |
| Mapping conformational space of all 8000 tripeptides by quantum chemical methods: what strain is affordable within folded protein chains? M Culka, T Kalvoda, O Gutten, L Rulisek The Journal of Physical Chemistry B 125 (1), 58-69, 2021 | 7 | 2021 |
| Conformational energies and equilibria of cyclic dinucleotides in vacuo and in solution: computational chemistry vs. NMR experiments O Gutten, P Jurečka, ZA Tehrani, M Buděšínský, J Řezáč, L Rulíšek Physical Chemistry Chemical Physics 23 (12), 7280-7294, 2021 | 6 | 2021 |
| Teoretická bioanorganická chemie a spektroskopie D Bím, O Gutten, J Chalupský, M Srnec, L Rulíšek Chemické listy 110 (5), 354-364, 2016 | 1 | 2016 |
| Correction to “Interaction of Metal Ions with Biomolecular Ligands: How Accurate Are Calculated Free Energies Associated with Metal Ion Complexation?” O Gutten, I Beššeová, L Rulíšek The Journal of Physical Chemistry A 116 (32), 8407-8407, 2012 | 1 | 2012 |
| Acidity constants and protonation sites of cyclic dinucleotides determined by capillary electrophoresis, quantum chemical calculations, and NMR spectroscopy S Štěpánová, E Andris, O Gutten, M Buděšínský, M Dejmek, P Břehová, ... Electrophoresis, 2023 | | 2023 |
| Metal-Ion Selectivity from Quantum-Chemical Perspective O Gutten Univerzita Karlova, Přírodovědecká fakulta, 2018 | | 2018 |
| Theoretical Bioinorganic Chemistry and Spectroscopy D Bim, O Gutten, J Chalupsky, M Srnec, L Rulisek CHEMICKE LISTY 110 (5), 354-364, 2016 | | 2016 |
| Modelling of the interaction of proteins and peptides with metal ions O Gutten Univerzita Karlova, Přírodovědecká fakulta, 2010 | | 2010 |
