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Structure--activity relationships of strigolactones via a novel, quantitative in planta bioassay.
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- Journal of Experimental Botany, 2018, v. 69, n. 9, p. 2333, doi. 10.1093/jxb/ery092
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- Article
Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-β-Lactamases and Synergistic Activity on Resistant Bacteria.
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- Pharmaceuticals (14248247), 2023, v. 16, n. 12, p. 1682, doi. 10.3390/ph16121682
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- Article
Repurposing the Trypanosomatidic GSK Kinetobox for the Inhibition of Parasitic Pteridine and Dihydrofolate Reductases.
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- Pharmaceuticals (14248247), 2021, v. 14, n. 12, p. 1246, doi. 10.3390/ph14121246
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- Article
4-Amino-1,2,4-triazole-3-thione as a Promising Scaffold for the Inhibition of Serine and Metallo-β-Lactamases.
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- Pharmaceuticals (14248247), 2020, v. 13, n. 3, p. 52, doi. 10.3390/ph13030052
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- Article
Computational Modeling and Design of New Inhibitors of Carbapenemases: A Discussion from the EPIC Alliance Network.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 17, p. 9746, doi. 10.3390/ijms23179746
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- Article
Exploring Ligand Binding Domain Dynamics in the NRs Superfamily.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 15, p. 8732, doi. 10.3390/ijms23158732
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- Article
Iron Metabolism at the Interface between Host and Pathogen: From Nutritional Immunity to Antibacterial Development.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 6, p. 2145, doi. 10.3390/ijms21062145
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- Article
Energetics of the protein-DNA-water interaction.
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- BMC Structural Biology, 2007, v. 7, p. 4, doi. 10.1186/1472-6807-7-4
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- Article
Can We Exploit β-Lactamases Intrinsic Dynamics for Designing More Effective Inhibitors?
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- Antibiotics (2079-6382), 2020, v. 9, n. 11, p. 833, doi. 10.3390/antibiotics9110833
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- Article
The EU's Per- and Polyfluoroalkyl Substances (PFAS) Ban: A Case of Policy over Science.
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- Toxics, 2023, v. 11, n. 9, p. 721, doi. 10.3390/toxics11090721
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- Article
Complexity in Modeling and Understanding Protonation States: Computational Titration of HIV-1-Protease-Inhibitor Complexes.
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- Chemistry & Biodiversity, 2007, v. 4, n. 11, p. 2564, doi. 10.1002/cbdv.200790210
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- Article
Tuning the Hydrophobicity of a Mitochondria‐Targeted NO Photodonor.
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- ChemMedChem, 2018, v. 13, n. 12, p. 1238, doi. 10.1002/cmdc.201800088
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- Article
Isozyme-Specific Ligands for <i>O</i>-acetylserine sulfhydrylase, a Novel Antibiotic Target.
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- PLoS ONE, 2013, v. 8, n. 10, p. 1, doi. 10.1371/journal.pone.0077558
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- Article
CO Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin.
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- PLoS ONE, 2013, v. 8, n. 1, p. 1, doi. 10.1371/journal.pone.0049770
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- Article
Bound Water at Protein-Protein Interfaces: Partners, Roles and Hydrophobic Bubbles as a Conserved Motif.
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- PLoS ONE, 2011, v. 6, n. 9, p. 1, doi. 10.1371/journal.pone.0024712
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- Article
BioGPS: The Music for the Chemo- and Bioinformatics Walzer.
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- Molecular Informatics, 2014, v. 33, n. 6/7, p. 446, doi. 10.1002/minf.201400028
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- Article
The allosteric interplay between S‐nitrosylation and glycine binding controls the activity of human serine racemase.
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- FEBS Journal, 2021, v. 288, n. 9, p. 3034, doi. 10.1111/febs.15645
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- Article
Investigation into the Use of Encorafenib to Develop Potential PROTACs Directed against BRAF V600E Protein.
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- Molecules, 2022, v. 27, n. 23, p. 8513, doi. 10.3390/molecules27238513
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- Article
N -[1,3-Dialkyl(aryl)-2-oxoimidazolidin-4-ylidene]-aryl(alkyl)sulphonamides as Novel Selective Human Cannabinoid Type 2 Receptor (hCB2R) Ligands; Insights into the Mechanism of Receptor Activation/Deactivation.
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- Molecules, 2022, v. 27, n. 23, p. 8152, doi. 10.3390/molecules27238152
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- Article
Antiherpetic Activity of a Root Exudate from Solanum lycopersicum.
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- Microorganisms, 2024, v. 12, n. 2, p. 373, doi. 10.3390/microorganisms12020373
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- Article
Strigolactone Analogs Are Promising Antiviral Agents for the Treatment of Human Cytomegalovirus Infection.
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- Microorganisms, 2020, v. 8, n. 5, p. 703, doi. 10.3390/microorganisms8050703
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- Article
Interaction of human hemoglobin and semi-hemoglobins with the Staphylococcus aureus hemophore IsdB: a kinetic and mechanistic insight.
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- Scientific Reports, 2019, v. 9, n. 1, p. N.PAG, doi. 10.1038/s41598-019-54970-w
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- Article
Rational Design of a User-Friendly Aptamer/Peptide-Based Device for the Detection of Staphylococcus aureus.
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- Sensors (14248220), 2020, v. 20, n. 17, p. 4977, doi. 10.3390/s20174977
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- Article
Cover Feature: Fluorescent Nitric Oxide Photodonors Based on BODIPY and Rhodamine Antennae (Chem. Eur. J. 47/2019).
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- Chemistry - A European Journal, 2019, v. 25, n. 47, p. 10974, doi. 10.1002/chem.201902432
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- Article
Fluorescent Nitric Oxide Photodonors Based on BODIPY and Rhodamine Antennae.
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- Chemistry - A European Journal, 2019, v. 25, n. 47, p. 11080, doi. 10.1002/chem.201902062
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- Article
Evaluation of Porcine and Aspergillus oryzae α-Amylases as Possible Model for the Human Enzyme.
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- Processes, 2022, v. 10, n. 4, p. N.PAG, doi. 10.3390/pr10040780
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- Article
First virtual screening and experimental validation of inhibitors targeting GES-5 carbapenemase.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 2, p. 295, doi. 10.1007/s10822-018-0182-2
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- Article
Virtual screening identifies broad-spectrum β-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases.
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- Scientific Reports, 2020, v. 10, n. 1, p. 1, doi. 10.1038/s41598-020-69431-y
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- Article
A structural homologue of the plant receptor D14 mediates responses to strigolactones in the fungal phytopathogen Cryphonectria parasitica.
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- New Phytologist, 2022, v. 234, n. 3, p. 1003, doi. 10.1111/nph.18013
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- Article
Structural insight into the interaction of O-acetylserine sulfhydrylase with competitive, peptidic inhibitors by saturation transfer difference- NMR.
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- FEBS Letters, 2016, v. 590, n. 7, p. 943, doi. 10.1002/1873-3468.12126
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- Article
Energy-based prediction of amino acid-nucleotide base recognition.
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- Journal of Computational Chemistry, 2008, v. 29, n. 12, p. 1955, doi. 10.1002/jcc.20954
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- Article
DNA‐Targeted NO Release Photoregulated by Green Light.
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- Chemistry - A European Journal, 2020, v. 26, n. 60, p. 13627, doi. 10.1002/chem.202001538
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- Article
Strigolactones, from Plants to Human Health: Achievements and Challenges.
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- Molecules, 2021, v. 26, n. 15, p. 4579, doi. 10.3390/molecules26154579
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- Article
Chemical Modulation of the 1-(Piperidin-4-yl)-1,3-dihydro-2 H -benzo[d]imidazole-2-one Scaffold as a Novel NLRP3 Inhibitor.
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- Molecules, 2021, v. 26, n. 13, p. 3975, doi. 10.3390/molecules26133975
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- Article
Binding of Androgen- and Estrogen-Like Flavonoids to Their Cognate (Non)Nuclear Receptors: A Comparison by Computational Prediction.
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- Molecules, 2021, v. 26, n. 6, p. 1613, doi. 10.3390/molecules26061613
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- Article
Oxygen and nitric oxide rebinding kinetics in nonsymbiotic hemoglobin AHb1 from Arabidopsis thaliana.
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- IUBMB Life, 2011, v. 63, n. 12, p. 1094, doi. 10.1002/iub.546
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- Article
Oxygen binding to Arabidopsis thaliana AHb2 nonsymbiotic hemoglobin: evidence for a role in oxygen transport.
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- IUBMB Life, 2011, v. 63, n. 5, p. 355, doi. 10.1002/iub.470
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- Article
Comparing Drug Images and Repurposing Drugs with BioGPS and FLAPdock: The Thymidylate Synthase Case.
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- ChemMedChem, 2016, v. 11, n. 15, p. 1653, doi. 10.1002/cmdc.201600121
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- Article
Targeting Cystalysin, a Virulence Factor of Treponema denticola-Supported Periodontitis.
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- ChemMedChem, 2014, v. 9, n. 7, p. 1501, doi. 10.1002/cmdc.201300527
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- Article
Identification of small molecules affecting the interaction between human hemoglobin and Staphylococcus aureus IsdB hemophore.
- Published in:
- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-55931-8
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- Publication type:
- Article
Water: How to evaluate its contribution in protein–ligand interactions.
- Published in:
- International Journal of Quantum Chemistry, 2006, v. 106, n. 3, p. 647, doi. 10.1002/qua.20812
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- Article