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Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer's Disease, Parkinson's Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis.
Nguyen PH, Ramamoorthy A, Sahoo BR, Zheng J, Faller P, Straub JE, Dominguez L, Shea JE, Dokholyan NV, De Simone A, Ma B, Nussinov R, Najafi S, Ngo ST, Loquet A, Chiricotto M, Ganguly P, McCarty J, Li MS, Hall C, Wang Y, Miller Y, Melchionna S, Habenstein B, Timr S, Chen J, Hnath B, Strodel B, Kayed R, Lesné S, Wei G, Sterpone F, Doig AJ, Derreumaux P. Nguyen PH, et al. Among authors: de simone a. Chem Rev. 2021 Feb 24;121(4):2545-2647. doi: 10.1021/acs.chemrev.0c01122. Epub 2021 Feb 5. Chem Rev. 2021. PMID: 33543942 Free PMC article. Review.
Amyloid β Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies.
Nasica-Labouze J, Nguyen PH, Sterpone F, Berthoumieu O, Buchete NV, Coté S, De Simone A, Doig AJ, Faller P, Garcia A, Laio A, Li MS, Melchionna S, Mousseau N, Mu Y, Paravastu A, Pasquali S, Rosenman DJ, Strodel B, Tarus B, Viles JH, Zhang T, Wang C, Derreumaux P. Nasica-Labouze J, et al. Among authors: de simone a. Chem Rev. 2015 May 13;115(9):3518-63. doi: 10.1021/cr500638n. Epub 2015 Mar 19. Chem Rev. 2015. PMID: 25789869 Free PMC article. Review.
Small-molecule sequestration of amyloid-β as a drug discovery strategy for Alzheimer's disease.
Heller GT, Aprile FA, Michaels TCT, Limbocker R, Perni M, Ruggeri FS, Mannini B, Löhr T, Bonomi M, Camilloni C, De Simone A, Felli IC, Pierattelli R, Knowles TPJ, Dobson CM, Vendruscolo M. Heller GT, et al. Among authors: de simone a. Sci Adv. 2020 Nov 4;6(45):eabb5924. doi: 10.1126/sciadv.abb5924. Print 2020 Nov. Sci Adv. 2020. PMID: 33148639 Free PMC article.
Substitutions at residue 211 in the prion protein drive a switch between CJD and GSS syndrome, a new mechanism governing inherited neurodegenerative disorders.
Peoc'h K, Levavasseur E, Delmont E, De Simone A, Laffont-Proust I, Privat N, Chebaro Y, Chapuis C, Bedoucha P, Brandel JP, Laquerriere A, Kemeny JL, Hauw JJ, Borg M, Rezaei H, Derreumaux P, Laplanche JL, Haïk S. Peoc'h K, et al. Among authors: de simone a. Hum Mol Genet. 2012 Dec 15;21(26):5417-28. doi: 10.1093/hmg/dds377. Epub 2012 Sep 10. Hum Mol Genet. 2012. PMID: 22965875
508 results