Gaspar P. Pinto
Gaspar P. Pinto
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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
Engineering enzyme access tunnels
P Kokkonen, D Bednar, G Pinto, Z Prokop, J Damborsky
Biotechnology advances 37 (6), 107386, 2019
Computational design of enzymes for biotechnological applications
J Planas-Iglesias, SM Marques, GP Pinto, M Musil, J Stourac, ...
Biotechnology Advances 47, 107696, 2021
Transcription and translation inhibitors in cancer treatment
N Laham-Karam, GP Pinto, A Poso, P Kokkonen
Frontiers in Chemistry 8, 276, 2020
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
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
Engineering the protein dynamics of an ancestral luciferase
A Schenkmayerova, GP Pinto, M Toul, M Marek, L Hernychova, ...
Nature Communications 12 (1), 1-16, 2021
Light-emitting dehalogenases: reconstruction of multifunctional biocatalysts
R Chaloupkova, V Liskova, M Toul, K Markova, E Sebestova, ...
ACS Catalysis 9 (6), 4810-4823, 2019
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
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
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
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
Exploiting enzyme evolution for computational protein design
GP Pinto, M Corbella, AO Demkiv, SCL Kamerlin
Trends in Biochemical Sciences, 2021
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
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
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, 2022
Virtual screening of potential anticancer drugs based on microbial products
GP Pinto, NM Hendrikse, J Stourac, J Damborsky, D Bednar
Seminars in Cancer Biology, 0
A catalytic mechanism for Renilla-type bioluminescence
A Schenkmayerova, M Toul, D Pluskal, R Baatallah, G Gagnot, GP Pinto, ...
bioRxiv, 2022
Q-RepEx: A Python Pipeline to Increase the Sampling of Empirical Valence Bond Simulations
S Brickel, AO Demkiv, RM Crean, GP Pinto, SCL Kamerlin
Protein engineering and chemoenzymatic synthesis
NC Taylor, I Nikić-Spiegel, FR von Pappenheim, K Tittmann, GP Pinto, ...
Sciences 47 (5), 2022
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