Amyloid β-protein oligomers and Alzheimer's disease

EY Hayden, DB Teplow - Alzheimer's research & therapy, 2013 - Springer
The oligomer cascade hypothesis, which states that oligomers are the initiating pathologic
agents in Alzheimer's disease, has all but supplanted the amyloid cascade hypothesis …

Multiscale modeling of biomolecular systems: in serial and in parallel

GS Ayton, WG Noid, GA Voth - Current opinion in structural biology, 2007 - Elsevier
Considerable progress has been recently achieved in the multiscale modeling of complex
biological processes. Multiscale models have now investigated the structure and dynamics …

Protein folding thermodynamics and dynamics: where physics, chemistry, and biology meet

E Shakhnovich - Chemical reviews, 2006 - ACS Publications
As was noted in our recent review, 1 the protein folding field underwent a cyclic
development. Initially, protein folding was viewed as a strictly experimental field belonging to …

Toward a molecular theory of early and late events in monomer to amyloid fibril formation

JE Straub, D Thirumalai - Annual review of physical chemistry, 2011 - annualreviews.org
Quantitative understanding of the kinetics of fibril formation and the molecular mechanism of
transition from monomers to fibrils is needed to obtain insights into the growth of amyloid …

Molecular insights into the misfolding and dimerization dynamics of the full-length α-synuclein from atomistic discrete molecular dynamics simulations

Y Zhang, Y Wang, Y Liu, G Wei, F Ding… - ACS chemical …, 2022 - ACS Publications
The misfolding and pathological aggregation of α-synuclein forming insoluble amyloid
deposits is associated with Parkinson's disease, the second most common …

Role of pH and charge on silk protein assembly in insects and spiders

CWP Foo, E Bini, J Hensman, DP Knight, RV Lewis… - Applied Physics A, 2006 - Springer
Silk fibers possess impressive mechanical properties, dependant, in part, on the crystalline β-
sheets silk II conformation. The transition to silk II from soluble silk I-like conformation in silk …

Computational studies of protein aggregation: methods and applications

A Morriss-Andrews, JE Shea - Annual review of physical …, 2015 - annualreviews.org
Protein aggregation involves the self-assembly of normally soluble proteins into large
supramolecular assemblies. The typical end product of aggregation is the amyloid fibril, an …

Generic coarse-grained model for protein folding and aggregation

T Bereau, M Deserno - Biophysical Journal, 2009 - cell.com
Groningen University, Groningen, Netherlands. MARTINI force field: extension to
carbohydrates We present an extension of the coarse grained (CG) MARTINI force field (1) …

A coarse‐grained protein force field for folding and structure prediction

J Maupetit, P Tuffery… - … : Structure, Function, and …, 2007 - Wiley Online Library
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 OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems

F Sterpone, S Melchionna, P Tuffery… - Chemical Society …, 2014 - pubs.rsc.org
The OPEP coarse-grained protein model has been applied to a wide range of applications
since its first release 15 years ago. The model, which combines energetic and structural …