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Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes †.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 7, p. 6368, doi. 10.3390/ijms24076368
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- Article
Selective events at individual sites underlie the evolution of monkeypox virus clades.
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- Virus Evolution, 2023, v. 9, n. 1, p. 1, doi. 10.1093/ve/vead031
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- Article
Adaptation of the endemic coronaviruses HCoV-OC43 and HCoV-229E to the human host.
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- Virus Evolution, 2021, v. 7, n. 2, p. 1, doi. 10.1093/ve/veab061
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- Article
DNA-binding protects p53 from interactions with cofactors involved in transcription-independent functions.
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- Nucleic Acids Research, 2016, v. 44, n. 19, p. 9096, doi. 10.1093/nar/gkw770
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- Article
Intramolecular interactions stabilizing compact conformations of the intrinsically disordered kinase-inhibitor domain of Sic1: a molecular dynamics investigation.
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- Frontiers in Physiology, 2012, v. 3, p. 1, doi. 10.3389/fphys.2012.00435
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- Article
Intramolecular interactions stabilizing compact conformations of the intrinsically disordered kinase-inhibitor domain of Sic1: a molecular dynamics investigation.
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- Frontiers in Physiology, 2012, v. 3, p. 1, doi. 10.3389/fphys.2012.00435
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- Article
Probing the Effects of One-Electron Reduction and Protonation on the Electronic Properties of the Fe-S Clusters in the Active-Ready Form of [FeFe]-Hydrogenases. A QM/MM Investigation.
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- ChemPhysChem, 2011, v. 12, n. 17, p. 3376, doi. 10.1002/cphc.201100498
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- Article
The heptad repeat region is a major selection target in MERS-CoV and related coronaviruses.
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- Scientific Reports, 2015, p. 14480, doi. 10.1038/srep14480
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- Article
The mammalian complement system as an epitome of host-pathogen genetic conflicts.
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- Molecular Ecology, 2016, v. 25, n. 6, p. 1324, doi. 10.1111/mec.13558
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- Article
Reciprocal Influence of Protein Domains in the Cold-Adapted Acyl Aminoacyl Peptidase from <i>Sporosarcina psychrophila</i>.
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- PLoS ONE, 2013, v. 8, n. 2, p. 1, doi. 10.1371/journal.pone.0056254
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Loop 7 of E2 Enzymes: An Ancestral Conserved Functional Motif Involved in the E2-Mediated Steps of the Ubiquitination Cascade.
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- PLoS ONE, 2012, v. 7, n. 7, p. 1, doi. 10.1371/journal.pone.0040786
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Molecular Dynamics of Mesophilic-Like Mutants of a Cold-Adapted Enzyme: Insights into Distal Effects Induced by the Mutations.
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- PLoS ONE, 2011, v. 6, n. 9, p. 1, doi. 10.1371/journal.pone.0024214
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- Article
Design, Synthesis, and Preliminary Biological Evaluation of GlcNAc‐6P Analogues for the Modulation of Phosphoacetylglucosamine Mutase 1 (AGM1/PGM3).
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- European Journal of Organic Chemistry, 2018, v. 2018, n. 17, p. 1946, doi. 10.1002/ejoc.201800183
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- Article
Exome Sequencing in an ADSHE Family: VUS Identification and Limits.
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- International Journal of Environmental Research & Public Health, 2022, v. 19, n. 19, p. 12548, doi. 10.3390/ijerph191912548
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- Article
Rational Design of Fe<sub>2</sub>(μ‐PR<sub>2</sub>)<sub>2</sub>(L)<sub>6</sub> Coordination Compounds Featuring Tailored Potential Inversion.
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- ChemPhysChem, 2020, v. 21, n. 20, p. 2279, doi. 10.1002/cphc.202000623
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- Article
Superoxide Reduction by Cu‐Amyloid Beta Peptide Complexes: A Density Functional Theory Study.
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- European Journal of Inorganic Chemistry, 2022, v. 2022, n. 21, p. 1, doi. 10.1002/ejic.202200245
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- Article
Toward Diiron Dithiolato Biomimetics with Rotated Conformation of the [FeFe]‐Hydrogenase Active Site: A DFT Case Study on Electron‐Rich, Isocyanide‐Based Scaffolds.
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- European Journal of Inorganic Chemistry, 2022, v. 2022, n. 17, p. 1, doi. 10.1002/ejic.202200153
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- Article
A New Nerve Growth Factor-Mimetic Peptide Active on Neuropathic Pain in Rats.
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- Journal of Neuroscience, 2008, v. 28, n. 11, p. 2698, doi. 10.1523/JNEUROSCI.5201-07.2008
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Validation of protein models by a neural network approach.
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- BMC Bioinformatics, 2008, v. 9, p. 1, doi. 10.1186/1471-2105-9-66
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-In silico functional characterization of a double histone fold domain from the Heliothis zea virus I.
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- BMC Bioinformatics, 2005, v. 6, p. 1, doi. 10.1186/1471-2105-6-S4-S15
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- Article
Evolution of Virus-like Features and Intrinsically Disordered Regions in Retrotransposon-derived Mammalian Genes.
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- Molecular Biology & Evolution, 2024, v. 41, n. 8, p. 1, doi. 10.1093/molbev/msae154
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Positive Selection Drives Evolution at the Host-Filovirus Interaction Surface.
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- Molecular Biology & Evolution, 2016, v. 33, n. 11, p. 2836, doi. 10.1093/molbev/msw158
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Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation.
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- Molecules, 2023, v. 28, n. 16, p. 6016, doi. 10.3390/molecules28166016
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On the photochemistry of Fe<sub>2</sub>(edt)(CO)<sub>4</sub>(PMe<sub>3</sub>)<sub>2</sub>, a [FeFe]‐hydrogenase model: A DFT/TDDFT investigation.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 9, p. 1, doi. 10.1002/qua.25537
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Computational approaches to the prediction of the redox potentials of iron and copper bioinorganic systems.
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- International Journal of Quantum Chemistry, 2016, v. 116, n. 22, p. 1695, doi. 10.1002/qua.25228
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- Article
An Acidic Loop and Cognate Phosphorylation Sites Define a Molecular Switch That Modulates Ubiquitin Charging Activity in Cdc34-Like Enzymes.
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- PLoS Computational Biology, 2011, v. 7, n. 5, p. 1, doi. 10.1371/journal.pcbi.1002056
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- Article
Cover Feature: H<sub>2</sub> Activation in [FeFe]‐Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry (Chem. Eur. J. 5/2019).
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- Chemistry - A European Journal, 2019, v. 25, n. 5, p. 1114, doi. 10.1002/chem.201806123
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- Article
H<sub>2</sub> Activation in [FeFe]‐Hydrogenase Cofactor Versus Diiron Dithiolate Models: Factors Underlying the Catalytic Success of Nature and Implications for an Improved Biomimicry.
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- Chemistry - A European Journal, 2019, v. 25, n. 5, p. 1227, doi. 10.1002/chem.201804687
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Electrochemical and Theoretical Investigations of the Oxidatively Induced Reactivity of the Complex [Fe<sub>2</sub>(CO)<sub>4</sub>(κ<sup>2</sup>‐dmpe)(μ‐adt<sup>Bn</sup>)] Related to the Active Site of [FeFe] Hydrogenases.
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- Chemistry - A European Journal, 2018, v. 24, n. 56, p. 15036, doi. 10.1002/chem.201802980
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- Article
Influence of the Dithiolate Bridge on the Oxidative Processes of Diiron Models Related to the Active Site of [FeFe] Hydrogenases.
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- Chemistry - A European Journal, 2017, v. 23, n. 18, p. 4364, doi. 10.1002/chem.201605060
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Photocatalytic Hydrogen Evolution Driven by [FeFe] Hydrogenase Models Tethered to Fluorene and Silafluorene Sensitizers.
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- Chemistry - A European Journal, 2017, v. 23, n. 2, p. 334, doi. 10.1002/chem.201603140
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A De Novo‐Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity.
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- Angewandte Chemie, 2023, v. 135, n. 1, p. 1, doi. 10.1002/ange.202211552
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- Article
On the propagation of the OH radical produced by Cu-amyloid beta peptide model complexes. Insight from molecular modelling.
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- Metallomics, 2020, v. 12, n. 11, p. 1765, doi. 10.1039/d0mt00113a
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- Article
Copper reduction and dioxygen activation in Cu–amyloid beta peptide complexes: insight from molecular modelling.
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- Metallomics, 2018, v. 10, n. 11, p. 1618, doi. 10.1039/c8mt00216a
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Dating the Emergence of Human Endemic Coronaviruses.
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- Viruses (1999-4915), 2022, v. 14, n. 5, p. 1095, doi. 10.3390/v14051095
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- Article
A De Novo‐Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity.
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- Angewandte Chemie International Edition, 2023, v. 62, n. 1, p. 1, doi. 10.1002/anie.202211552
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- Article
Characterization of Escherichia coli Uridine Phosphorylase by Single-Site Mutagenesis.
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- Journal of Biochemistry, 2004, v. 135, n. 4, p. 495, doi. 10.1093/jb/mvh057
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- Article
Ligand versus Metal Protonation of an Iron Hydrogenase Active Site Mimic.
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- Chemistry - A European Journal, 2007, v. 13, n. 25, p. 7075, doi. 10.1002/chem.200700019
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- Article
Dissecting the Intimate Mechanism of Cyanation of {2Fe3S} Complexes Related to the Active Site of All-Iron Hydrogenases by DFT Analysis of Energetics, Transition States, Intermediates and Products in the Carbonyl Substitution Pathway.
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- Chemistry - A European Journal, 2005, v. 11, n. 2, p. 509, doi. 10.1002/chem.200400442
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- Article
Synthesis of the H-cluster framework of iron-only hydrogenase.
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- Nature, 2005, v. 433, n. 7026, p. 610, doi. 10.1038/nature03298
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- Article
Characterization of the p.L145F and p.S135N Mutations in SOD1: Impact on the Metabolism of Fibroblasts Derived from Amyotrophic Lateral Sclerosis Patients.
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- Antioxidants, 2022, v. 11, n. 5, p. 815, doi. 10.3390/antiox11050815
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- Article
Evolutionary Analysis Provides Insight Into the Origin and Adaptation of HCV.
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- Frontiers in Microbiology, 2018, p. 1, doi. 10.3389/fmicb.2018.00854
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- Article
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.
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- Human Molecular Genetics, 2017, v. 26, n. 17, p. 3271, doi. 10.1093/hmg/ddx211
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- Article
Inhibition of the Hexosamine Biosynthetic Pathway by targeting PGM3 causes breast cancer growth arrest and apoptosis.
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- Cell Death & Disease, 2018, v. 9, n. 3, p. 1, doi. 10.1038/s41419-018-0405-4
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- Article
Iminosugar Analogues of Phosphatidyl Inositol as Potential Inhibitors of Protein Kinase B (Akt).
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- European Journal of Organic Chemistry, 2011, v. 2011, n. 26, p. 5012, doi. 10.1002/ejoc.201100452
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- Article
A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen.
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- PEDS: Protein Engineering, Design & Selection, 2017, v. 30, n. 3, p. 167, doi. 10.1093/protein/gzw071
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- Article
C-type natriuretic peptide: Structural studies, fragment synthesis, and preliminary biological evaluation in human osteosarcoma cell lines.
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- Biopolymers, 2010, v. 94, n. 2, p. 213, doi. 10.1002/bip.21336
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- Article
Homology‐based classification of accessory proteins in coronavirus genomes uncovers extremely dynamic evolution of gene content.
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- Molecular Ecology, 2022, v. 31, n. 13, p. 3672, doi. 10.1111/mec.16531
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- Article
Reductive Behavior of [Fe<sub>2</sub>(CO)<sub>4</sub>(κ<sup>2</sup>-dmpe){μ-(SCH<sub>2</sub>)<sub>2</sub>NBn}]: Effect of Symmetrization on the Rotated Conformation in Fe<sup>I</sup>-Fe<sup>I</sup> Models of [2Fe]<sub>H</sub> Subsite of [Fe-Fe]H<sub>2</sub>ases
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- European Journal of Inorganic Chemistry, 2014, v. 2014, n. 22, p. 3456, doi. 10.1002/ejic.201402335
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- Article
Magnetic Properties of [FeFe]-Hydrogenases: A Theoretical Investigation Based on Extended QM and QM/MM Models of the H-Cluster and Its Surroundings.
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- European Journal of Inorganic Chemistry, 2011, v. 2011, n. 7, p. 1043, doi. 10.1002/ejic.201001058
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- Article