A brief history of amyloid aggregation simulations

H Fatafta, M Khaled, B Kav, OO Olubiyi… - Wiley Interdisciplinary …, 2024 - Wiley Online Library
Amyloid proteins are characterized by their tendency to aggregate into amyloid fibrils, which
are often associated with devastating diseases. Aggregation pathways typically involve …

Effects of ion type and concentration on the structure and aggregation of the amyloid peptide A β 16− 22 β _ 16-22

E Smorodina, B Kav, H Fatafta… - … : Structure, Function, and …, 2023 - Wiley Online Library
Among the various factors controlling the amyloid aggregation process, the influences of
ions on the aggregation rate and the resulting structures are important aspects to consider …

Evaluating polarizable biomembrane simulations against experiments

HS Antila, S Dixit, B Kav, JJ Madsen… - Journal of Chemical …, 2024 - ACS Publications
Owing to the increase of available computational capabilities and the potential for providing
a more accurate description, polarizable molecular dynamics force fields are gaining …