Simulations of Amyloid-Forming Peptides in the Crystal State.

ABSTRACT: There still is little treatment available for amyloid diseases, despite their significant impact on individuals and the social and economic implications for society. One reason for this is that the physical nature of amyloid formation is not understood sufficiently well. Therefore, fundamental research at the molecular level remains necessary to support the development of therapeutics. A few structures of short peptides from amyloid-forming proteins have been determined. These can in principle be used as scaffolds for designing aggregation inhibitors. Attempts to this end have often used the tools of computational chemistry, in particular molecular simulation. However, few simulation studies of these peptides in the crystal state have been presented so far. Hence, to validate the capabilit

SUBMITTER: Hosseini AN 

PROVIDER: S-EPMC10264543 | biostudies-literature | 2023 Jun

REPOSITORIES: biostudies-literature