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Secondary structure dependence of amyloid-beta(1-40) on simulation techniques and force field parameters
(Wiley, 2021)
Our recent studies revealed that none of the selected widely used force field parameters and molecular dynamics simulation techniques yield structural properties for the intrinsically disordered alpha-synuclein that are ...
Challenges and limitations in the studies of glycoproteins: A computational chemist's perspective
(WILEY, 2021)
Experimenters face challenges and limitations while analyzing glycoproteins due to their high flexibility, stereochemistry, anisotropic effects, and hydration phenomena. Computational studies complement experiments and ...