947 results on '"DE GIOIA, LUCA"'
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2. Mechanism of non-phenolic substrate oxidation by the fungal laccase Type 1 copper site from Trametes versicolor: the case of benzo[a]pyrene and anthracene.
3. Mechanism of RGD-conjugated nanodevice binding to its target protein integrin αVβ3 by atomistic molecular dynamics and machine learning
4. Use of the Asymmetrical Chelating N-Donor 2-Imino-Pyridine as a Redox [Fe4S4] Cubane Surrogate at a Di-Iron Site Related to [FeFe]-Hydrogenases
5. Molecular Dynamics for the Optimal Design of Functionalized Nanodevices to Target Folate Receptors on Tumor Cells
6. Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation
7. Structural characterization of the nitrogenase molybdenum-iron protein with the substrate acetylene trapped near the active site
8. Oxidation of Phospholipids by OH Radical Coordinated to Copper Amyloid-β Peptide—A Density Functional Theory Modeling
9. Selective events at individual sites underlie the evolution of monkeypox virus clades
10. Normal vs. Inverted Ordering of Reduction Potentials in [FeFe]‐Hydrogenases Biomimetics: Effect of the Dithiolate Bulk
11. Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes
12. Normal vs. Inverted Ordering of Reduction Potentials in [FeFe]-Hydrogenases Biomimetics: Effect of the Dithiolate Bulk
13. Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation
14. Activation of the N2 molecule by means of low-valence complexes of calcium and magnesium
15. Selective events at individual sites underlie the evolution of monkeypox virus clades
16. Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes
17. A De Novo-Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity
18. Synthetic sulfoglycolipids targeting the serine–threonine protein kinase Akt
19. CHAPTER 3. Theory Related to [FeFe]- and [NiFe]-hydrogenases: Stereoelectronic Properties, H-cluster Oxidation, and Mechanisms for Increasing Oxygen Tolerance
20. Activation of the N2 molecule by means of low-valence complexes of calcium and magnesium
21. A De Novo‐Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity
22. Terbium chelation, a specific fluorescent tagging of human transferrin. Optimization of conditions in view of its application to the HPLC analysis of carbohydrate-deficient transferrin (CDT)
23. Theoretical insights into [NiFe]-hydrogenases oxidation resulting in a slowly reactivating inactive state
24. Structural investigation of the cold-adapted acylaminoacyl peptidase from Sporosarcina psychrophila by atomistic simulations and biophysical methods
25. Author Correction: The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster
26. Exome Sequencing in an ADSHE Family: VUS Identification and Limits
27. Machine Learning for Efficient Prediction of Protein Redox Potential: The Flavoproteins Case
28. Towards biomimetic models of the reduced [FeFe]-hydrogenase that preserve the key structural features of the enzyme active site; a DFT investigation
29. Quantum Chemical Investigations of Reaction Paths of Metalloenzymes and Biomimetic Models – The Hydrogenase Example
30. Activation of the N2 molecule by means of low-valence complexes of calcium and magnesium.
31. Inhibition of the Hexosamine Biosynthetic Pathway by targeting PGM3 causes breast cancer growth arrest and apoptosis
32. On the generation of OH· radical species from H2O2 by Cu(I) amyloid beta peptide model complexes: a DFT investigation
33. Superoxide Reduction by Cu‐Amyloid Beta Peptide Complexes: A Density Functional Theory Study
34. Homology‐based classification of accessory proteins in coronavirus genomes uncovers extremely dynamic evolution of gene content
35. Dating the Emergence of Human Endemic Coronaviruses
36. Characterization of the p.L145F and p.S135N Mutations in SOD1: Impact on the Metabolism of Fibroblasts Derived from Amyotrophic Lateral Sclerosis Patients
37. Dating the Emergence of Human Endemic Coronaviruses
38. Homology-based classification of accessory proteins in coronavirus genomes uncovers extremely dynamic evolution of gene content
39. Exome Sequencing in an ADSHE Family: VUS Identification and Limits
40. Machine Learning for Efficient Prediction of Protein Redox Potential: The Flavoproteins Case
41. Epigallocatechin-3-gallate and related phenol compounds redirect the amyloidogenic aggregation pathway of ataxin-3 towards non-toxic aggregates and prevent toxicity in neural cells and Caenorhabditis elegans animal model
42. A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen
43. Characterization of the p.L145F and p.S135N Mutations in SOD1: Impact on the Metabolism of Fibroblasts Derived from Amyotrophic Lateral Sclerosis Patients
44. Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation
45. Toward diiron dithiolato biomimetics with rotated conformation of the [FeFe]‐hydrogenase active site: a DFT case study on electron rich isocyanide based scaffolds
46. Conjugation of gold nanoparticles with multidentate surfactants for enhanced stability and biological properties.
47. A De Novo‐Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity.
48. Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case
49. Relation between coordination geometry and stereoelectronic properties in DFT models of the CO-inhibited [FeFe]-hydrogenase cofactor
50. Does the environment around the H-cluster allow coordination of the pendant amine to the catalytic iron center in [FeFe] hydrogenases? Answers from theory
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