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Order and Disorder at the Surface of Biological Membranes.

Publications

Structural basis for allosteric control of the SERCA-Phospholamban membrane complex by Ca2+ and phosphorylation

Author(s): Daniel K Weber, U Venkateswara Reddy, Songlin Wang, Erik K Larsen, Tata Gopinath, Martin B Gustavsson, Razvan L Cornea, David D Thomas, Alfonso De Simone, Gianluigi Veglia
Published in: eLife, Issue 10, 2021, ISSN 2050-084X
Publisher: eLife Sciences Publications
DOI: 10.7554/elife.66226

Backbone NMR assignments of the C-terminal domain of the human prion protein and its disease‐associated T183A variant

Author(s): Mario Sanz-Hernández, Alfonso De Simone
Published in: Biomolecular NMR assignments, 2021, ISSN 1874-2718
Publisher: Springer Verlag
DOI: 10.1007/s12104-021-10005-y

Modeling Parkinson’s Disease Neuropathology and Symptoms by Intranigral Inoculation of Preformed Human α-Synuclein Oligomers

Author(s): Laura Boi, Augusta Pisanu, Maria Francesca Palmas, Giuliana Fusco, Ezio Carboni, Maria Antonietta Casu, Valentina Satta, Maria Scherma, Elzbieta Janda, Ignazia Mocci, Giovanna Mulas, Anna Ena, Saturnino Spiga, Paola Fadda, Alfonso De Simone, Anna R. Carta
Published in: International Journal of Molecular Sciences, Issue 21/22, 2020, Page(s) 8535, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms21228535

The docking of synaptic vesicles on the presynaptic membrane induced by α-synuclein is modulated by lipid composition

Author(s): Wing K. Man, Bogachan Tahirbegi, Michail D. Vrettas, Swapan Preet, Liming Ying, Michele Vendruscolo, Alfonso De Simone, Giuliana Fusco
Published in: Nature Communications, Issue 12/1, 2021, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-021-21027-4

Membrane Interactions and Toxicity by Misfolded Protein Oligomers

Author(s): Mario Gonzalez-Garcia, Giuliana Fusco, Alfonso De Simone
Published in: Frontiers in Cell and Developmental Biology, Issue 9, 2021, ISSN 2296-634X
Publisher: Frontiers
DOI: 10.3389/fcell.2021.642623

In Silico Study of the Mechanism of Binding of the N-Terminal Region of α Synuclein to Synaptic-Like Membranes

Author(s): Carlos Navarro-Paya, Maximo Sanz-Hernandez, Alfonso De Simone
Published in: Life, Issue 10/6, 2020, Page(s) 98, ISSN 2075-1729
Publisher: MDPI
DOI: 10.3390/life10060098

Plasticity of Membrane Binding by the Central Region of α-Synuclein

Author(s): Navarro-Paya C, Sanz-Hernandez M, De Simone A.
Published in: Frontiers in Molecular Biosciences, 2022, ISSN 2296-889X
Publisher: Lausanne: Frontiers Media S.A., 2014-
DOI: 10.3389/fmolb.2022.857217

Extent of N-terminus exposure of monomeric alpha-synuclein determines its aggregation propensity

Author(s): Amberley D. Stephens, Maria Zacharopoulou, Rani Moons, Giuliana Fusco, Neeleema Seetaloo, Anass Chiki, Philippa J. Woodhams, Ioanna Mela, Hilal A. Lashuel, Jonathan J. Phillips, Alfonso De Simone, Frank Sobott, Gabriele S. Kaminski Schierle
Published in: Nature Communications, Issue 11/1, 2020, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-020-16564-3

Enhancing Biomolecular Simulations with Hybrid Potentials Incorporating NMR Data

Author(s): Qi G, Michail D. Vrettas, Biancaniello C, Sanz-Hernandez M, Cafolla CT, Morgan JWR, Wang Y, De Simone A, Wales DJ.
Published in: Journal of Chemical Theory and Computations, 2022, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.2c00657

Mechanism of misfolding of the human prion protein revealed by a pathological mutation

Author(s): Máximo Sanz-Hernández, Joseph D. Barritt, Jens Sobek, Simone Hornemann, Adriano Aguzzi, Alfonso De Simone
Published in: Proceedings of the National Academy of Sciences, Issue 118/12, 2021, Page(s) e2019631118, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2019631118

Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer’s Disease, Parkinson’s Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis

Author(s): Phuong H. Nguyen, Ayyalusamy Ramamoorthy, Bikash R. Sahoo, Jie Zheng, Peter Faller, John E. Straub, Laura Dominguez, Joan-Emma Shea, Nikolay V. Dokholyan, Alfonso De Simone, Buyong Ma, Ruth Nussinov, Saeed Najafi, Son Tung Ngo, Antoine Loquet, Mara Chiricotto, Pritam Ganguly, James McCarty, Mai Suan Li, Carol Hall, Yiming Wang, Yifat Miller, Simone Melchionna, Birgit Habenstein, Stepan Timr, Jiaxi
Published in: Chemical Reviews, Issue 121/4, 2021, Page(s) 2545-2647, ISSN 0009-2665
Publisher: American Chemical Society
DOI: 10.1021/acs.chemrev.0c01122

Thermal tuning of protein hydration in a hyperthermophilic enzyme

Author(s): Giuliana Fusco, Carmen Biancaniello, Michail Vrettas, Alfonso De Simone
Published in: Frontiers in Molecular Biosciences, 2022, ISSN 2296-889X
Publisher: Lausanne: Frontiers Media S.A., 2014-
DOI: 10.3389/fmolb.2022.1037445

A Role of Cholesterol in Modulating the Binding of α-Synuclein to Synaptic-Like Vesicles

Author(s): Wing K. Man, Alfonso De Simone, Joseph D. Barritt, Michele Vendruscolo, Christopher M. Dobson, Giuliana Fusco
Published in: Frontiers in Neuroscience, Issue 14, 2020, ISSN 1662-453X
Publisher: Frontiers
DOI: 10.3389/fnins.2020.00018

The role of structural dynamics in the thermal adaptation of hyperthermophilic enzymes

Author(s): Fusco G, Bemporad F, Chiti F, Dobson CM, De Simone A.
Published in: Frontiers in Molecular Biosciences, 2022, ISSN 2296-889X
Publisher: Lausanne: Frontiers Media S.A., 2014-
DOI: 10.3389/fmolb.2022.981312

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