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Guilia Rossetti's publications

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Investigating targets for neuropharmacological intervention by molecular dynamics simulations
Biochemical Society transactions 47(3), 909 - 918 () [10.1042/BST20190048] BibTeX | EndNote: XML, Text | RIS

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RhoA regulates translation of the Nogo-A decoy SPARC in white matter-invading glioblastomas
Acta neuropathologica 138(2), 275 - 293 () [10.1007/s00401-019-02021-z] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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High-throughput screening discovers antifibrotic properties of haloperidol by hindering myofibroblast activation
JCI insight 4(8), e123987 () [10.1172/jci.insight.123987] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Structural Determinants of the Prion Protein N-Terminus and Its Adducts with Copper Ions
International journal of molecular sciences 20(1), 18 () [10.3390/ijms20010018] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Effect of in vivo post-translational modifications of the HMGB1 protein upon binding to platinated DNA: a molecular simulation study
Nucleic acids symposium series 46(22), 11687 - 11697 () [10.1093/nar/gky1082] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The Conorfamide RPRFa Stabilizes the Open Conformation of Acid-Sensing Ion Channel 3 via the Nonproton Ligand–Sensing Domain
Molecular pharmacology 94(4), 1114 - 1124 () [10.1124/mol.118.112375]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Assessment of Intracellular Auto-Modification Levels of ARTD10 Using Mono-ADP-Ribose-Specific Macrodomains 2 and 3 of Murine Artd8
ADP-ribosylation and NAD+ Utilizing Enzymes / Chang, Paul (Editor) ; New York, NY : Springer New York, 2018, Chapter 4 ; ISSN: 1064-3745=1940-6029 ; ISBN: 978-1-4939-8587-6=978-1-4939-8588-3 ; doi:10.1007/978-1-4939-8588-3 New York, NY : Springer New York, Methods in Molecular Biology 1813, 41 - 63 () [10.1007/978-1-4939-8588-3_4] BibTeX | EndNote: XML, Text | RIS

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Reducing Mutant Huntingtin Protein Expression in Living Cells by a Newly Identified RNA CAG Binder
ACS chemical neuroscience 9(6), 1399 - 1408 () [10.1021/acschemneuro.8b00027] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Nucleolar-nucleoplasmic shuttling of TARG1 and its control by DNA damage-induced poly-ADP-ribosylation and by nucleolar transcription
Scientific reports 8(1), 6748 () [10.1038/s41598-018-25137-w] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Vibrational Energy in Proteins Correlates with Topology
The journal of physical chemistry letters 9(22), 6393 - 6398 () [10.1021/acs.jpclett.8b02380] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Role of Extracellular Loops and Membrane Lipids for Ligand Recognition in the Neuronal Adenosine Receptor Type 2A: An Enhanced Sampling Simulation Study
Molecules 23(10), 2616 - () [10.3390/molecules23102616] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Structural Prediction of the Dimeric Form of the Mammalian Translocator Membrane Protein TSPO: A Key Target for Brain Diagnostics
International journal of molecular sciences 19(9), 2588 - () [10.3390/ijms19092588] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Diminazene Is a Slow Pore Blocker of Acid-Sensing Ion Channel 1a (ASIC1a)
Molecular pharmacology 92(6), 665 - 675 () [10.1124/mol.117.110064]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Chapter 12. Molecular Modelling and Simulations Applied to Challenging Drug Discovery Targets
Computational Tools for Chemical Biology / Martín-Santamaría, Sonsoles (Editor) ; Cambridge : Royal Society of Chemistry, 2017, ; ISBN: ; doi:10.1039/9781788010139 Cambridge : Royal Society of Chemistry 317 - 348 () [10.1039/9781788010139-00317]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Molecular Dynamics Simulations of the [2Fe-2S] Cluster-Binding Domain of NEET Proteins Reveal Key Molecular Determinants That Induce Their Cluster Transfer/Release
The journal of physical chemistry <Washington, DC> / B 121(47), 10648–10656 () [10.1021/acs.jpcb.7b10584] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Structural Modeling of Human Prion Protein's Point Mutations
Prion Protein / Rossetti, Giulia ; : Elsevier, 2017, ; ISSN: 18771173 ; ISBN: 9780128112267 ; doi:10.1016/bs.pmbts.2017.07.001 Amsterdam [u.a.] : Elsevier, Progress in Molecular Biology and Translational Science 150, 105 - 122 () [10.1016/bs.pmbts.2017.07.001] BibTeX | EndNote: XML, Text | RIS

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A covalent PIN1 inhibitor selectively targets cancer cells by a dual mechanism of action
Nature Communications 8, 15772 - () [10.1038/ncomms15772] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The conserved macrodomains of the non-structural proteins of Chikungunya virus and other pathogenic positive strand RNA viruses function as mono-ADP-ribosylhydrolases
Scientific reports 7, 41746 - () [10.1038/srep41746] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Copper(II) and the pathological H50Q α-synuclein mutant: Environment meets genetics
Communicative & integrative biology 10(1), e1270484 - () [10.1080/19420889.2016.1270484] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Sulfoximines as ATR inhibitors: Analogs of VE-821
Bioorganic & medicinal chemistry letters 27(12), 2659 - 2662 () [10.1016/j.bmcl.2017.04.026]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Proton Dynamics in Protein Mass Spectrometry
The journal of physical chemistry letters 8(6), 1105 - 1112 () [10.1021/acs.jpclett.7b00127]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Structural prediction of the interaction of the tumor suppressor p27$^{KIP1}$ with cyclin A/CDK2 identifies a novel catalytically relevant determinant
BMC bioinformatics 18(1), 15 () [10.1186/s12859-016-1411-0] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Unifying view of mechanical and functional hotspots across class A GPCRs
PLoS Computational Biology 13(2), e1005381 - () [10.1371/journal.pcbi.1005381] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Intramolecular hydrophobic interactions are critical mediators of STAT5 dimerization
Scientific reports 6, 35454 - () [10.1038/srep35454] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Environmental and genetic factors support the dissociation between α-synuclein aggregation and toxicity
Proceedings of the National Academy of Sciences of the United States of America 113(42), E6506 - E6515 () [10.1073/pnas.1606791113]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Conformational ensemble of human α-synuclein physiological form predicted by molecular simulations
Physical chemistry, chemical physics 18(8), 5702 - 5706 () [10.1039/C5CP04549E]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Carnosine and Homocarnosine Degradation Mechanisms by the Human Carnosinase Enzyme CN1: Insights from Multiscale Simulations
Biochemistry 55(19), 2772 - 2784 () [10.1021/acs.biochem.5b01263]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Structural Predictions of Intrinsically Disordered Proteins with Computational Methods
NIC Symposium 2016
NIC Symposium 2016, JülichJülich, Germany, 11 Feb 2016 - 12 Feb 20162016-02-112016-02-12
Jülich : Forschungszentrum Jülich GmbH, Zentralbibliothek, NIC Series 48, 89-96 () OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Conformational effects in protein electrospray-ionization mass spectrometry
Mass spectrometry reviews 35(1), 111 - 122 () [10.1002/mas.21465] BibTeX | EndNote: XML, Text | RIS

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Computational metallomics of the anticancer drug cisplatin
Journal of inorganic biochemistry 153, 231 - 238 () [10.1016/j.jinorgbio.2015.10.001]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Rare FLT3 deletion mutants may provide additional treatment options to patients with AML: an approach to individualized medicine
Leukemia 29(12), 2434 - 2438 () [10.1038/leu.2015.131]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Insight into the Mechanism of Intramolecular Inhibition of the Catalytic Activity of Sirtuin 2 (SIRT2)
PLoS one 10(9), e0139095 - () [10.1371/journal.pone.0139095] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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The structural impact of DNA mismatches
Nucleic acids symposium series 43(8), 4309 - 4321 () [10.1093/nar/gkv254] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Molecular View of Ligands Specificity for CAG Repeats in Anti-Huntington Therapy
Journal of chemical theory and computation 11(10), 4911 - 4922 () [10.1021/acs.jctc.5b00208]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Binding of the Antagonist Caffeine to the Human Adenosine Receptor hA2AR in Nearly Physiological Conditions
PLoS one 10(5), e0126833 () [10.1371/journal.pone.0126833] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Copper Binding to the N-Terminally Acetylated, Naturally Occurring Form of Alpha-Synuclein Induces Local Helical Folding
Journal of the American Chemical Society 137(20), 6444 - 6447 () [10.1021/jacs.5b01911]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Molecular Basis for Structural Heterogeneity of an Intrinsically Disordered Protein Bound to a Partner by Combined ESI-IM-MS and Modeling
Journal of the American Society for Mass Spectrometry 26(3), 472 - 481 () [10.1007/s13361-014-1048-z]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Structural predictions of neurobiologically relevant G-protein coupled receptors and intrinsically disordered proteins
Archives of biochemistry and biophysics 582, 91–100 () [10.1016/j.abb.2015.03.011]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Computer–aided design of ligands targeting RNA polyCAG expansion tracts in Huntington’s disease
International Prion Congress, Prion 2014, TriestTriest, Italy, 27 May 2014 - 30 May 20142014-05-272014-05-30 Austin, Tex. : Landes Bioscience 117 pp. () BibTeX | EndNote: XML, Text | RIS

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HIV-1 Integrase Binding to its Cellular Partners: A Perspective from Computational Biology
Current pharmaceutical design 20(21), 3412 - 3421 () [10.2174/13816128113199990631] BibTeX | EndNote: XML, Text | RIS

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Chemosensorial G-proteins-Coupled Receptors: A Perspective from Computational Methods
Protein Conformational Dynamics Cham : Springer International Publishing, Advances in Experimental Medicine and Biology 805, 441 - 457 () [10.1007/978-3-319-02970-2_18] BibTeX | EndNote: XML, Text | RIS

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Molecular Recognition of Platinated DNA from Chromosomal HMGB1
Journal of chemical theory and computation 10(8), 3578 - 3584 () [10.1021/ct500402e]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Molecular Simulation-Based Structural Prediction of Protein Complexes in Mass Spectrometry: The Human Insulin Dimer
PLoS Computational Biology 10(9), e1003838 () [10.1371/journal.pcbi.1003838] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Molecular Dynamics Simulations Identify Time Scale of Conformational Changes Responsible for Conformational Selection in Molecular Recognition of HIV-1 Transactivation Responsive RNA
Journal of the American Chemical Society 136(44), 15631 - 15637 () [10.1021/ja507812v]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Developing predictive rules for coordination geometry from visible circular dichroism of Copper(II) and Nickel(II) ions in histidine and amide main-chain complexes
The FEBS journal 281(17), 3945 - 3954 () [10.1111/febs.12934]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Computational Studies on the Prion Protein
Current topics in medicinal chemistry 13(19), 2419 - 2431 () [10.2174/15680266113136660170] BibTeX | EndNote: XML, Text | RIS

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Ligand Binding on Intrinsic Disordered Proteins: Focus on Human Alpha-Synuclein
Biophysical journal 104(2), 379a () [10.1016/j.bpj.2012.11.2111]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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A Molecular Dynamics Simulation-Based Interpretation of Nuclear Magnetic Resonance Multidimensional Heteronuclear Spectra of α-Synuclein·Dopamine Adducts
Biochemistry 52(38), 6672 - 6683 () [10.1021/bi400367r]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Role of prion disease-linked mutations in the intrinsically disordered N-terminal domain of the prion protein
Journal of chemical theory and computation 9(11), 5158-5167 () [10.1021/ct400534k]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Dominant-negative effects in prion diseases: insights from molecular dynamics simulations on mouse prion protein chimeras
Journal of biomolecular structure & dynamics: JBSD 31(8), 829-840 () [10.1080/07391102.2012.712477] BibTeX | EndNote: XML, Text | RIS

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Structural Determinants of Cisplatin and Transplatin Binding to the Met-Rich Motif of Ctr1: A Computational Spectroscopy Approach
Journal of chemical theory and computation 8(8), 2912 - 2920 () [10.1021/ct300167m]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Corrigendum to “Common Structural Traits across Pathogenic Mutants of the Human Prion Protein and Their Implications for Familial Prion Diseases” [J. Mol. Biol. 411 (2011) 700–712]
Journal of molecular biology 422(1), 157 - () [10.1016/j.jmb.2012.06.007]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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HIV-1 Tat Binding to PCAF Bromodomain: Structural Determinants from Computational Methods
Biology 1(2), 277 - 296 () [10.3390/biology1020277] special issue: "Structural and Molecular Biology of HIV" OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Local Fluctuations and Conformational Transitions in Proteins
Journal of chemical theory and computation 8(11), 4775 - 4785 () [10.1021/ct300610y] BibTeX | EndNote: XML, Text | RIS

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Common Structural Traits across Pathogenic Mutants of the Human Prion Protein and Their Implications for Familial Prion Diseases
Journal of molecular biology 411(3), 700 - 712 () [10.1016/j.jmb.2011.06.008]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Conformations of the Huntingtin N-term in aqueous solution from atomistic simulations
FEBS letters 585(19), 3086 - 3089 () [10.1016/j.febslet.2011.08.036]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Hydrogen Bonding Cooperativity in polyQ β-Sheets from First Principle Calculations
Journal of chemical theory and computation 6(6), 1777 - 1782 () [10.1021/ct900476e]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Structural facets of disease-linked human prion protein mutants: A molecular dynamic study
Proteins 78(16), 3270 - 3280 () [10.1002/prot.22834]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS


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