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CoA synthase plays a critical role in neurodevelopment and neurodegeneration.
- Published in:
- Frontiers in Cellular Neuroscience, 2024, p. 1, doi. 10.3389/fncel.2024.1458475
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- Publication type:
- Article
Molecular mechanism of IKK catalytic dimer docking to NF-κB substrates.
- Published in:
- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-52076-0
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- Publication type:
- Article
Comparison between Single-Dose and Two-Dose Psilocybin Administration in the Treatment of Major Depression: A Systematic Review and Meta-Analysis of Current Clinical Trials.
- Published in:
- Brain Sciences (2076-3425), 2024, v. 14, n. 8, p. 829, doi. 10.3390/brainsci14080829
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- Publication type:
- Article
Enhancing User Localization with an Integrated Sensing and Communication (ISAC) System: An Experimental UAV Search-and-Rescue Use Case.
- Published in:
- Remote Sensing, 2024, v. 16, n. 16, p. 3031, doi. 10.3390/rs16163031
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- Publication type:
- Article
Novel Approaches for the Treatment of Post-Traumatic Stress Disorder: A Systematic Review of Non-Invasive Brain Stimulation Interventions and Insights from Clinical Trials.
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- Brain Sciences (2076-3425), 2024, v. 14, n. 3, p. 210, doi. 10.3390/brainsci14030210
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- Publication type:
- Article
Neural Correlates of Delay Discounting in the Light of Brain Imaging and Non-Invasive Brain Stimulation: What We Know and What Is Missed.
- Published in:
- Brain Sciences (2076-3425), 2023, v. 13, n. 3, p. 403, doi. 10.3390/brainsci13030403
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- Publication type:
- Article
Phenolic 1,3-diketones attenuate lipopolysaccharide-induced inflammatory response by an alternative magnesium-mediated mechanism.
- Published in:
- British Journal of Pharmacology, 2017, v. 174, n. 10, p. 1090, doi. 10.1111/bph.13746
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- Publication type:
- Article
Phenolic 1,3-diketones attenuate lipopolysaccharide-induced inflammatory response by an alternative magnesium-mediated mechanism.
- Published in:
- 2017
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- Publication type:
- journal article
Cover Picture: Could Adenosine Recognize its Receptors with a Stoichiometry Other than 1 : 1? (Mol. Inf. 8/2018).
- Published in:
- Molecular Informatics, 2018, v. 37, n. 8, p. 1, doi. 10.1002/minf.201880801
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- Publication type:
- Article
Could Adenosine Recognize its Receptors with a Stoichiometry Other than 1 : 1?
- Published in:
- Molecular Informatics, 2018, v. 37, n. 8, p. 1, doi. 10.1002/minf.201800009
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- Publication type:
- Article
New Trends in Inspecting GPCR-ligand Recognition Process: the Contribution of the Molecular Modeling Section (MMS) at the University of Padova.
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- Molecular Informatics, 2016, v. 35, n. 8/9, p. 440, doi. 10.1002/minf.201501011
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- Publication type:
- Article
NMR-Assisted Molecular Docking Methodologies.
- Published in:
- Molecular Informatics, 2015, v. 34, n. 8, p. 513, doi. 10.1002/minf.201500012
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- Publication type:
- Article
MMsDusty: an Alternative InChI-Based Tool to Minimize Chemical Redundancy.
- Published in:
- Molecular Informatics, 2013, v. 32, n. 8, p. 681, doi. 10.1002/minf.201300061
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- Publication type:
- Article
Mimicking Peptides... In Silico.
- Published in:
- Molecular Informatics, 2012, v. 31, n. 1, p. 12, doi. 10.1002/minf.201100093
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- Publication type:
- Article
A Novel Generalized 3D-QSAR Model of Camptothecin Analogs.
- Published in:
- Molecular Informatics, 2011, v. 30, n. 11/12, p. 927, doi. 10.1002/minf.201100060
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- Publication type:
- Article
Support Vector Machine (SVM) as Alternative Tool to Assign Acute Aquatic Toxicity Warning Labels to Chemicals.
- Published in:
- Molecular Informatics, 2010, v. 29, n. 1/2, p. 51, doi. 10.1002/minf.200900005
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- Publication type:
- Article
Mitochondrial iron deficiency triggers cytosolic iron overload in PKAN hiPS-derived astrocytes.
- Published in:
- Cell Death & Disease, 2024, v. 15, n. 5, p. 1, doi. 10.1038/s41419-024-06757-9
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- Publication type:
- Article
In silico investigation of PHD-3 specific HIF1-α proline 567 hydroxylation: A new player in the VHL/HIF-1α interaction pathway?
- Published in:
- FEBS Letters, 2013, v. 587, n. 18, p. 2996, doi. 10.1016/j.febslet.2013.07.019
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- Publication type:
- Article
The A<sub>3</sub> adenosine receptor as multifaceted therapeutic target: pharmacology, medicinal chemistry, and in silico approaches.
- Published in:
- Medicinal Research Reviews, 2013, v. 33, n. 2, p. 235, doi. 10.1002/med.20254
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- Publication type:
- Article
How druggable is protein kinase CK2?
- Published in:
- Medicinal Research Reviews, 2010, v. 30, n. 3, p. 419, doi. 10.1002/med.20164
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- Publication type:
- Article
Progress in the pursuit of therapeutic adenosine receptor antagonists.
- Published in:
- Medicinal Research Reviews, 2006, v. 26, n. 2, p. 131, doi. 10.1002/med.20048
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- Publication type:
- Article
Drugging the Undruggable Trypanosoma brucei Monothiol Glutaredoxin 1.
- Published in:
- Molecules, 2023, v. 28, n. 3, p. 1276, doi. 10.3390/molecules28031276
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- Publication type:
- Article
Comparing Fragment Binding PosesPrediction Using HSP90 as a Key Study: When Bound Water Makes the Difference.
- Published in:
- Molecules, 2020, v. 25, n. 20, p. 4651, doi. 10.3390/molecules25204651
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- Publication type:
- Article
A Deep-Learning Approach toward Rational Molecular Docking Protocol Selection.
- Published in:
- Molecules, 2020, v. 25, n. 11, p. 2487, doi. 10.3390/molecules25112487
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- Publication type:
- Article
Revisiting the Allosteric Regulation of Sodium Cation on the Binding of Adenosine at the Human A2A Adenosine Receptor: Insights from Supervised Molecular Dynamics (SuMD) Simulations.
- Published in:
- Molecules, 2019, v. 24, n. 15, p. 2752, doi. 10.3390/molecules24152752
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- Publication type:
- Article
Supporting the Identification of Novel Fragment-Based Positive Allosteric Modulators Using a Supervised Molecular Dynamics Approach: A Retrospective Analysis Considering the Human A2A Adenosine Receptor as a Key Example.
- Published in:
- Molecules, 2017, v. 22, n. 5, p. 818, doi. 10.3390/molecules22050818
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- Publication type:
- Article
DockBench: An Integrated Informatic Platform Bridging the Gap between the Robust Validation of Docking Protocols and Virtual Screening Simulations.
- Published in:
- Molecules, 2015, v. 20, n. 6, p. 9977, doi. 10.3390/molecules20069977
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- Publication type:
- Article
Integration of presence‐only data from several sources: a case study on dolphins' spatial distribution.
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- Ecography, 2021, v. 44, n. 10, p. 1533, doi. 10.1111/ecog.05843
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- Publication type:
- Article
[1,2,4]Triazolo[1,5‐c]pyrimidines as Tools to Investigate A<sub>3</sub> Adenosine Receptors in Cancer Cell Lines.
- Published in:
- ChemMedChem, 2023, v. 18, n. 21, p. 1, doi. 10.1002/cmdc.202300299
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- Publication type:
- Article
Front Cover: Are Two Riboses Better Than One? The Case of the Recognition and Activation of Adenosine Receptors (ChemMedChem 14/2023).
- Published in:
- ChemMedChem, 2023, v. 18, n. 14, p. 1, doi. 10.1002/cmdc.202300340
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- Publication type:
- Article
Are Two Riboses Better Than One? The Case of the Recognition and Activation of Adenosine Receptors.
- Published in:
- ChemMedChem, 2023, v. 18, n. 14, p. 1, doi. 10.1002/cmdc.202300109
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- Publication type:
- Article
Front Cover: Inspecting the Mechanism of Fragment Hits Binding on SARS‐CoV‐2 M<sup>pro</sup> by Using Supervised Molecular Dynamics (SuMD) Simulations (ChemMedChem 13/2021).
- Published in:
- ChemMedChem, 2021, v. 16, n. 13, p. 1996, doi. 10.1002/cmdc.202100444
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- Publication type:
- Article
Inspecting the Mechanism of Fragment Hits Binding on SARS‐CoV‐2 M<sup>pro</sup> by Using Supervised Molecular Dynamics (SuMD) Simulations.
- Published in:
- ChemMedChem, 2021, v. 16, n. 13, p. 2075, doi. 10.1002/cmdc.202100156
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- Publication type:
- Article
Targeting G Protein‐Coupled Receptors with Magnetic Carbon Nanotubes: The Case of the A<sub>3</sub> Adenosine Receptor.
- Published in:
- ChemMedChem, 2020, v. 15, n. 20, p. 1909, doi. 10.1002/cmdc.202000466
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- Publication type:
- Article
A Triazolotriazine‐Based Dual GSK‐3β/CK‐1δ Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition.
- Published in:
- ChemMedChem, 2019, v. 14, n. 3, p. 310, doi. 10.1002/cmdc.201800778
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- Publication type:
- Article
Targeting Protein Kinase CK1δ with Riluzole: Could It Be One of the Possible Missing Bricks to Interpret Its Effect in the Treatment of ALS from a Molecular Point of View?
- Published in:
- ChemMedChem, 2018, v. 13, n. 24, p. 2601, doi. 10.1002/cmdc.201800632
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- Publication type:
- Article
Cover Feature: AquaMMapS: An Alternative Tool to Monitor the Role of Water Molecules During Protein–Ligand Association (ChemMedChem 6/2018).
- Published in:
- ChemMedChem, 2018, v. 13, n. 6, p. 465, doi. 10.1002/cmdc.201800125
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- Publication type:
- Article
AquaMMapS: An Alternative Tool to Monitor the Role of Water Molecules During Protein–Ligand Association.
- Published in:
- ChemMedChem, 2018, v. 13, n. 6, p. 522, doi. 10.1002/cmdc.201700564
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- Publication type:
- Article
Molecular Modeling Unveils the Effective Interaction of B-RAF Inhibitors with Rare B-RAF Insertion Variants.
- Published in:
- International Journal of Molecular Sciences, 2023, v. 24, n. 15, p. 12285, doi. 10.3390/ijms241512285
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- Publication type:
- Article
Targeting the I7L Protease: A Rational Design for Anti-Monkeypox Drugs?
- Published in:
- International Journal of Molecular Sciences, 2023, v. 24, n. 8, p. 7119, doi. 10.3390/ijms24087119
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- Publication type:
- Article
Lessons Learnt from COVID-19: Computational Strategies for Facing Present and Future Pandemics.
- Published in:
- International Journal of Molecular Sciences, 2023, v. 24, n. 5, p. 4401, doi. 10.3390/ijms24054401
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- Publication type:
- Article
Discovery of the 3-Amino-1,2,4-triazine-Based Library as Selective PDK1 Inhibitors with Therapeutic Potential in Highly Aggressive Pancreatic Ductal Adenocarcinoma.
- Published in:
- International Journal of Molecular Sciences, 2023, v. 24, n. 4, p. 3679, doi. 10.3390/ijms24043679
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- Publication type:
- Article
Thermal Titration Molecular Dynamics (TTMD): Not Your Usual Post-Docking Refinement.
- Published in:
- International Journal of Molecular Sciences, 2023, v. 24, n. 4, p. 3596, doi. 10.3390/ijms24043596
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- Publication type:
- Article
The Multifaceted Role of GPCRs in Amyotrophic Lateral Sclerosis: A New Therapeutic Perspective?
- Published in:
- International Journal of Molecular Sciences, 2022, v. 23, n. 9, p. 4504, doi. 10.3390/ijms23094504
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- Publication type:
- Article
The Effect of C-Phycocyanin on Microglia Activation Is Mediated by Toll-like Receptor 4.
- Published in:
- International Journal of Molecular Sciences, 2022, v. 23, n. 3, p. 1440, doi. 10.3390/ijms23031440
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- Publication type:
- Article
A Computational Workflow for the Identification of Novel Fragments Acting as Inhibitors of the Activity of Protein Kinase CK1δ.
- Published in:
- International Journal of Molecular Sciences, 2021, v. 22, n. 18, p. 9741, doi. 10.3390/ijms22189741
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- Publication type:
- Article
Deciphering the Molecular Recognition Mechanism of Multidrug Resistance Staphylococcus aureus NorA Efflux Pump Using a Supervised Molecular Dynamics Approach.
- Published in:
- International Journal of Molecular Sciences, 2019, v. 20, n. 16, p. 4041, doi. 10.3390/ijms20164041
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- Publication type:
- Article
Can We Still Trust Docking Results? An Extension of the Applicability of DockBench on PDBbind Database.
- Published in:
- International Journal of Molecular Sciences, 2019, v. 20, n. 14, p. 3558, doi. 10.3390/ijms20143558
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- Publication type:
- Article
Could the presence of sodium ion influence the accuracy and precision of the ligand-posing in the human A<sub>2A</sub> adenosine receptor orthosteric binding site using a molecular docking approach? Insights from Dockbench.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 12, p. 1337, doi. 10.1007/s10822-018-0174-2
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- Publication type:
- Article
Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2.
- Published in:
- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 1, p. 251, doi. 10.1007/s10822-017-0051-4
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- Publication type:
- Article