期刊
ISRAEL JOURNAL OF CHEMISTRY
卷 57, 期 7-8, 页码 564-573出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/ijch.201600048
关键词
Alzheimer's disease; amyloid simulations; computational chemistry; mutations; oligomerization
资金
- IDRIS [x2015077198]
- European Research Council [258748]
- GRAL ANR SIMI [12-BS07-0017-01]
- Pierre Gilles de Gennes Foundation [ANR-11-LABX-0011]
Alzheimer's disease is the most common neurodegenerative disease. Experiments and computer simulations can complement one another to provide a full and in-depth understanding of many aspects in the amyloid field at the atomistic level. Here, we review results of our coarse-grained and all-atom simulations in aqueous solution aimed at determining: 1) early aggregation steps of short linear peptides; 2) nucleation size number; 3) solution structure of the A beta(1-40)/A beta(1-42) wild-type dimers; 4) impact of FAD (familial forms of Alzheimer's disease) mutations on the structure of A beta(1-40)/A beta(1-42) dimers; and 5) impact of protective mutations on the structure of A beta(1-40)/A beta(1-42) dimers.
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