Works matching AU Tutone, Marco
Results: 56
Doxycycline Post-exposure Prophylaxis and Sexually Transmitted Infections in Italy, 2023.
- Published in:
- 2025
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- Publication type:
- Letter to the Editor
Hypokalemia in Patients with COVID-19.
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- Clinical & Experimental Nephrology, 2021, v. 25, n. 4, p. 401, doi. 10.1007/s10157-020-01996-4
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- Publication type:
- Article
Micelles of the chiral biocompatible surfactant (1R,2S)-dodecyl- (2-hydroxy-1-methyl-2-phenylethyl)dimethylammonium bromide (DMEB): molecular dynamics and fragmentation patterns in the gas phase.
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- Rapid Communications in Mass Spectrometry: RCM, 2017, v. 31, n. 13, p. 1158, doi. 10.1002/rcm.7888
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- Publication type:
- Article
Pneumocystosis as a Complication of H1N1 Influenza A Infection in an HIV-Positive Patient on Effective cART.
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- Open Forum Infectious Diseases, 2019, v. 6, n. 4, p. N.PAG, doi. 10.1093/ofid/ofz105
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- Publication type:
- Article
Monkeypox: An Italian, multicentre study of 104 cases.
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- Journal of the European Academy of Dermatology & Venereology, 2024, v. 38, n. 4, p. e312, doi. 10.1111/jdv.19587
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- Publication type:
- Article
SAnDReS 2.0: Development of machine‐learning models to explore the scoring function space.
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- Journal of Computational Chemistry, 2024, v. 45, n. 27, p. 2333, doi. 10.1002/jcc.27449
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- Article
Design of new DNA-interactive agents by molecular docking and QSPR approach.
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- ARKIVOC: Online Journal of Organic Chemistry, 2010, p. 13
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- Publication type:
- Article
A QSAR study investigating the potential anti-HIV-1 effect of some Acyclovir and Ganciclovir analogs.
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- ARKIVOC: Online Journal of Organic Chemistry, 2009, p. 85
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- Publication type:
- Article
Studies on a new potential dopaminergic agent: in vitro BBB permeability, in vivo behavioural effects and molecular docking evaluation.
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- Journal of Drug Targeting, 2015, v. 23, n. 10, p. 910, doi. 10.3109/1061186X.2015.1035275
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- Publication type:
- Article
Cerebral Fat Embolism After Traumatic Long‐Bone Fracture: A Case Report.
- Published in:
- 2024
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- Publication type:
- Case Study
COVID-19-associated vasculitis and thrombotic complications: from pathological findings to multidisciplinary discussion.
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- Rheumatology, 2020, v. 59, n. 12, p. e147, doi. 10.1093/rheumatology/keaa581
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- Publication type:
- Article
Micelles, Rods, Liposomes, and Other Supramolecular Surfactant Aggregates: Computational Approaches.
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- Interdisciplinary Sciences: Computational Life Sciences, 2017, v. 9, n. 3, p. 392, doi. 10.1007/s12539-017-0234-7
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- Publication type:
- Article
Theoretical Determination of the p K Values of Betalamic Acid Related to the Free Radical Scavenger Capacity: Comparison Between Empirical and Quantum Chemical Methods.
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- Interdisciplinary Sciences: Computational Life Sciences, 2016, v. 8, n. 2, p. 177, doi. 10.1007/s12539-015-0101-3
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- Publication type:
- Article
Molecular dynamics, dynamic site mapping, and highthroughput virtual screening on leptin and the Ob receptor as anti-obesity target.
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- Journal of Molecular Modeling, 2014, v. 20, n. 5, p. 1, doi. 10.1007/s00894-014-2247-z
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- Publication type:
- Article
Receptor-guided 3D-QSAR approach for the discovery of c-kit tyrosine kinase inhibitors.
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- Journal of Molecular Modeling, 2012, v. 18, n. 7, p. 2885, doi. 10.1007/s00894-011-1304-0
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- Publication type:
- Article
In-silico screening of new potential Bcl-2/Bcl-xl inhibitors as apoptosis modulators.
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- Journal of Molecular Modeling, 2009, v. 15, n. 4, p. 349, doi. 10.1007/s00894-008-0405-x
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- Publication type:
- Article
Machine learning in predicting respiratory failure in patients with COVID-19 pneumonia—Challenges, strengths, and opportunities in a global health emergency.
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- PLoS ONE, 2020, v. 15, n. 11, p. 1, doi. 10.1371/journal.pone.0239172
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- Publication type:
- Article
Unveiling Novel Hybrids Quinazoline/Phenylsulfonylfuroxan Derivatives with Potent Multi‐Anticancer Inhibition: DFT and In Silico Approach Combining 2D‐QSAR, Molecular Docking, Dynamics Simulations, and ADMET Properties.
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- ChemistrySelect, 2024, v. 9, n. 43, p. 1, doi. 10.1002/slct.202404283
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- Publication type:
- Article
A Molecular Dynamics-Shared Pharmacophore Approach to Boost Early-Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator-Activated Receptor α.
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- ChemMedChem, 2017, v. 12, n. 16, p. 1399, doi. 10.1002/cmdc.201600526
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- Publication type:
- Article
Readthrough Approach Using NV Translational Readthrough-Inducing Drugs (TRIDs): A Study of the Possible Off-Target Effects on Natural Termination Codons (NTCs) on TP53 and Housekeeping Gene Expression.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 20, p. 15084, doi. 10.3390/ijms242015084
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- Publication type:
- Article
Virtual Screening Strategy and In Vitro Tests to Identify New Inhibitors of the Immunoproteasome.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 13, p. 10504, doi. 10.3390/ijms241310504
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- Publication type:
- Article
Investigating the Inhibition of FTSJ1, a Tryptophan tRNA-Specific 2′-O-Methyltransferase by NV TRIDs, as a Mechanism of Readthrough in Nonsense Mutated CFTR.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 11, p. 9609, doi. 10.3390/ijms24119609
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- Article
Synthesis, In Vitro and In Silico Analysis of New Oleanolic Acid and Lupeol Derivatives against Leukemia Cell Lines: Involvement of the NF-κB Pathway †.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 12, p. 6594, doi. 10.3390/ijms23126594
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- Publication type:
- Article
Targeting Nonsense: Optimization of 1,2,4-Oxadiazole TRIDs to Rescue CFTR Expression and Functionality in Cystic Fibrosis Cell Model Systems.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 17, p. 6420, doi. 10.3390/ijms21176420
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- Article
Strategies against Nonsense: Oxadiazoles as Translational Readthrough-Inducing Drugs (TRIDs).
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- International Journal of Molecular Sciences, 2019, v. 20, n. 13, p. 3329, doi. 10.3390/ijms20133329
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- Article
Computational Approaches and Drug Discovery: Where Are We Going?
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- Molecules, 2024, v. 29, n. 5, p. 969, doi. 10.3390/molecules29050969
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- Publication type:
- Article
Fighting Antibiotic Resistance: New Pyrimidine-Clubbed Benzimidazole Derivatives as Potential DHFR Inhibitors.
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- Molecules, 2023, v. 28, n. 2, p. 501, doi. 10.3390/molecules28020501
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- Publication type:
- Article
Deciphering the Potential of Pre and Pro-Vitamin D of Mushrooms against Mpro and PLpro Proteases of COVID-19: An In Silico Approach.
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- Molecules, 2022, v. 27, n. 17, p. 5620, doi. 10.3390/molecules27175620
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- Article
Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics.
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- Molecules, 2021, v. 26, n. 24, p. 7500, doi. 10.3390/molecules26247500
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- Publication type:
- Article
Immunoproteasome and Non-Covalent Inhibition: Exploration by Advanced Molecular Dynamics and Docking Methods.
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- Molecules, 2021, v. 26, n. 13, p. 4046, doi. 10.3390/molecules26134046
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- Publication type:
- Article
Multiscale Virtual Screening Optimization for Shotgun Drug Repurposing Using the CANDO Platform.
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- Molecules, 2021, v. 26, n. 9, p. 2581, doi. 10.3390/molecules26092581
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- Publication type:
- Article
Is PF-00835231 a Pan-SARS-CoV-2 Mpro Inhibitor? A Comparative Study.
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- Molecules, 2021, v. 26, n. 6, p. 1678, doi. 10.3390/molecules26061678
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- Publication type:
- Article
Doxorubicin Encapsulation in Carbon Nanotubes Having Haeckelite or Stone–Wales Defects as Drug Carriers: A Molecular Dynamics Approach.
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- Molecules, 2021, v. 26, n. 6, p. 1586, doi. 10.3390/molecules26061586
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- Publication type:
- Article
The Interplay of Cholesterol and Ligand Binding in h TSPO from Classical Molecular Dynamics Simulations.
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- Molecules, 2021, v. 26, n. 5, p. 1250, doi. 10.3390/molecules26051250
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- Publication type:
- Article
Study of Endogen Substrates, Drug Substrates and Inhibitors Binding Conformations on MRP4 and Its Variants by Molecular Docking and Molecular Dynamics.
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- Molecules, 2021, v. 26, n. 4, p. 1051, doi. 10.3390/molecules26041051
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- Publication type:
- Article
Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease.
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- Molecules, 2021, v. 26, n. 4, p. 797, doi. 10.3390/molecules26040797
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- Publication type:
- Article
Computational Determination of Potential Multiprotein Targeting Natural Compounds for Rational Drug Design Against SARS-COV-2.
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- Molecules, 2021, v. 26, n. 3, p. 674, doi. 10.3390/molecules26030674
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- Publication type:
- Article
Structural Impacts of Drug-Resistance Mutations Appearing in HIV-2 Protease.
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- Molecules, 2021, v. 26, n. 3, p. 611, doi. 10.3390/molecules26030611
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- Publication type:
- Article
Biocomputational Prediction Approach Targeting FimH by Natural SGLT2 Inhibitors: A Possible Way to Overcome the Uropathogenic Effect of SGLT2 Inhibitor Drugs.
- Published in:
- Molecules, 2021, v. 26, n. 3, p. 582, doi. 10.3390/molecules26030582
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- Publication type:
- Article
Identification of Potential COX-2 Inhibitors for the Treatment of Inflammatory Diseases Using Molecular Modeling Approaches.
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- Molecules, 2020, v. 25, n. 18, p. 4183, doi. 10.3390/molecules25184183
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- Publication type:
- Article
Identification of Novel Src Inhibitors: Pharmacophore-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations.
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- Molecules, 2020, v. 25, n. 18, p. 4094, doi. 10.3390/molecules25184094
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- Publication type:
- Article
Characterizing Epitope Binding Regions of Entire Antibody Panels by Combining Experimental and Computational Analysis of Antibody: Antigen Binding Competition.
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- Molecules, 2020, v. 25, n. 16, p. 3659, doi. 10.3390/molecules25163659
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- Publication type:
- Article
In Silico Study Identified Methotrexate Analog as Potential Inhibitor of Drug Resistant Human Dihydrofolate Reductase for Cancer Therapeutics.
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- Molecules, 2020, v. 25, n. 15, p. 3510, doi. 10.3390/molecules25153510
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- Publication type:
- Article
The Performance of Gene Expression Signature-Guided Drug–Disease Association in Different Categories of Drugs and Diseases.
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- Molecules, 2020, v. 25, n. 12, p. 2776, doi. 10.3390/molecules25122776
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- Publication type:
- Article
Structure-Based Discovery of Dual-Target Hits for Acetylcholinesterase and the α7 Nicotinic Acetylcholine Receptors: In Silico Studies and In Vitro Confirmation.
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- Molecules, 2020, v. 25, n. 12, p. 2872, doi. 10.3390/molecules25122872
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- Publication type:
- Article
The Study on the hERG Blocker Prediction Using Chemical Fingerprint Analysis.
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- Molecules, 2020, v. 25, n. 11, p. 2615, doi. 10.3390/molecules25112615
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- Publication type:
- Article
Computer-Driven Development of an in Silico Tool for Finding Selective Histone Deacetylase 1 Inhibitors.
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- Molecules, 2020, v. 25, n. 8, p. 1952, doi. 10.3390/molecules25081952
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- Publication type:
- Article
Exploring the SARS-CoV-2 Proteome in the Search of Potential Inhibitors via Structure-Based Pharmacophore Modeling/Docking Approach.
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- Computation, 2020, v. 8, n. 3, p. 77, doi. 10.3390/computation8030077
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- Publication type:
- Article
Redox Properties, Bioactivity and Health Effects of Indicaxanthin, a Bioavailable Phytochemical from Opuntia ficus indica , L.: A Critical Review of Accumulated Evidence and Perspectives.
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- Antioxidants, 2022, v. 11, n. 12, p. 2364, doi. 10.3390/antiox11122364
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- Publication type:
- Article
Phytol and Heptacosane Are Possible Tools to Overcome Multidrug Resistance in an In Vitro Model of Acute Myeloid Leukemia.
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- Pharmaceuticals (14248247), 2022, v. 15, n. 3, p. 356, doi. 10.3390/ph15030356
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- Publication type:
- Article