| Caver Web 1.0: identification of tunnels and channels in proteins and analysis of ligand transport J Stourac, O Vavra, P Kokkonen, J Filipovic, G Pinto, J Brezovsky, ... Nucleic acids research 47 (W1), W414-W422, 2019 | 230 | 2019 |
| Engineering enzyme access tunnels P Kokkonen, D Bednar, G Pinto, Z Prokop, J Damborsky Biotechnology advances 37 (6), 107386, 2019 | 191 | 2019 |
| Computational design of enzymes for biotechnological applications J Planas-Iglesias, SM Marques, GP Pinto, M Musil, J Stourac, ... Biotechnology Advances 47, 107696, 2021 | 91 | 2021 |
| Engineering the protein dynamics of an ancestral luciferase A Schenkmayerova, GP Pinto, M Toul, M Marek, L Hernychova, ... Nature Communications 12 (1), 3616, 2021 | 89 | 2021 |
| Transcription and translation inhibitors in cancer treatment N Laham-Karam, GP Pinto, A Poso, P Kokkonen Frontiers in Chemistry 8, 276, 2020 | 84 | 2020 |
| Loop dynamics and the evolution of enzyme activity M Corbella, GP Pinto, SCL Kamerlin Nature Reviews Chemistry 7 (8), 536-547, 2023 | 74 | 2023 |
| Light-emitting dehalogenases: reconstruction of multifunctional biocatalysts R Chaloupkova, V Liskova, M Toul, K Markova, E Sebestova, ... ACS Catalysis 9 (6), 4810-4823, 2019 | 48 | 2019 |
| Establishing the catalytic mechanism of human pancreatic α-amylase with QM/MM methods GP Pinto, NF Bras, MAS Perez, PA Fernandes, N Russo, MJ Ramos, ... Journal of chemical theory and computation 11 (6), 2508-2516, 2015 | 48 | 2015 |
| Catalytic mechanism for Renilla-type luciferases A Schenkmayerova, M Toul, D Pluskal, R Baatallah, G Gagnot, GP Pinto, ... Nature Catalysis 6 (1), 23-38, 2023 | 45 | 2023 |
| Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for copper complexes SF Sousa, GRP Pinto, AJM Ribeiro, JTS Coimbra, PA Fernandes, ... Journal of Computational Chemistry 34 (24), 2079-2090, 2013 | 40 | 2013 |
| New insights in the catalytic mechanism of tyrosine ammonia-lyase given by QM/MM and QM cluster models GP Pinto, AJM Ribeiro, MJ Ramos, PA Fernandes, M Toscano, N Russo Archives of biochemistry and biophysics 582, 107-115, 2015 | 34 | 2015 |
| Exploiting enzyme evolution for computational protein design GP Pinto, M Corbella, AO Demkiv, SCL Kamerlin Trends in Biochemical Sciences 47 (5), 375-389, 2022 | 32 | 2022 |
| Fast screening of inhibitor binding/unbinding using novel software tool CaverDock GP Pinto, O Vavra, J Filipovic, J Stourac, D Bednar, J Damborsky Frontiers in Chemistry 7, 709, 2019 | 26 | 2019 |
| Triesterase and Promiscuous Diesterase Activities of a Di‐CoII‐Containing Organophosphate Degrading Enzyme Reaction Mechanisms ME Alberto, G Pinto, N Russo, M Toscano Chemistry–A European Journal 21 (9), 3736-3745, 2015 | 24 | 2015 |
| LoopGrafter: a web tool for transplanting dynamical loops for protein engineering J Planas-Iglesias, F Opaleny, P Ulbrich, J Stourac, Z Sanusi, GP Pinto, ... Nucleic Acids Research 50 (W1), W465-W473, 2022 | 22 | 2022 |
| The impact of tunnel mutations on enzymatic catalysis depends on the tunnel-substrate complementarity and the rate-limiting step P Kokkonen, M Slanska, V Dockalova, GP Pinto, EM Sánchez-Carnerero, ... Computational and Structural Biotechnology Journal 18, 805-813, 2020 | 21 | 2020 |
| Screening of world approved drugs against highly dynamical spike glycoprotein of SARS-CoV-2 using CaverDock and machine learning GP Pinto, O Vavra, SM Marques, J Filipovic, D Bednar, J Damborsky Computational and Structural Biotechnology Journal 19, 3187-3197, 2021 | 18 | 2021 |
| Virtual screening of potential anticancer drugs based on microbial products GP Pinto, NM Hendrikse, J Stourac, J Damborsky, D Bednar Seminars in Cancer Biology, 2022 | 12 | 2022 |
| Trimethylphosphate and Dimethylphosphate Hydrolysis by Binuclear CdII, MnII, and ZnII–FeII Promiscuous Organophosphate‐Degrading Enzyme: Reaction … G Pinto, G Mazzone, N Russo, M Toscano Chemistry–A European Journal 23 (55), 13742-13753, 2017 | 10 | 2017 |
| PredictONCO: a web tool supporting decision-making in precision oncology by extending the bioinformatics predictions with advanced computing and machine learning J Stourac, S Borko, RT Khan, P Pokorna, A Dobias, J Planas-Iglesias, ... Briefings in Bioinformatics 25 (1), bbad441, 2024 | 5 | 2024 |
Jiri DamborskyMasaryk UniversityE-mailová adresa ověřena na: chemi.muni.cz