Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ(16−22) Dimer

We investigated the effects of 17 widely used atomistic molecular mechanics force fields (MMFFs) on the structures and kinetics of amyloid peptide assembly. To this end, we performed large-scale all-atom molecular dynamics simulations in explicit water on the dimer of the seven-residue fragment of t...

Celý popis

Uloženo v:
Podrobná bibliografie
Vydáno v:J Chem Theory Comput
Hlavní autoři: Man, Viet Hoang, He, Xibing, Derreumaux, Philippe, Ji, Beihong, Xie, Xiang-Qun, Nguyen, Phuong H., Wang, Junmei
Médium: Artigo
Jazyk:Inglês
Vydáno: 2019
Témata:
Article
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC6745714/
https://ncbi.nlm.nih.gov/pubmed/30633867
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.8b01107
Tagy: Přidat tag
Žádné tagy, Buďte první, kdo otaguje tento záznam!

Podobné jednotky