The present advances in biology are related to progress in genomics, proteomics, and other
“-omics”, including glycomics, working with a large amount of data regarding human and …

Amyloids can have normal biological functions. 1r3 However, amyloidogenic proteins can
also form unwanted oligomeric or polymeric aggregates when disturbed from their native …

In neurodegenerative diseases, polymorphism and supramolecular assembly of β-sheet
amyloids are implicated in many different etiologies and may adopt either a left-or right …

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 …

Nanostructured scaffolds recently showed great promise in tissue engineering:
nanomaterials can be tailored at the molecular level and scaffold morphology may more …

We have revisited the protein coarse‐grained optimized potential for efficient structure
prediction (OPEP). The training and validation sets consist of 13 and 16 protein targets …

The role of water in promoting the formation of protofilaments (the basic building blocks of
amyloid fibrils) is investigated using fully atomic molecular dynamics simulations. Our model …

Increasing evidence indicates that oligomeric protein assemblies may represent the
molecular species responsible for cytotoxicity in a range of neurological disorders including …

Computational tools are increasingly being applied to solve the protein aggregation
problem, providing insight into amyloid structures and aggregation mechanisms. The …

The aim of this work is to investigate the effects of molecular mechanics force fields on
amyloid peptide assembly. To this end, we performed extensive replica exchange molecular …