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Journal of Chemical Information and Modeling|November 11, 2020
Different Force Fields Give Rise to Different Amyloid Aggregation Pathways in Molecular Dynamics SimulationsSuman Samantray, Feng Yin, Batuhan Kav, et al.RSC Advances|August 3, 2022
Does the inclusion of electronic polarisability lead to a better modelling of peptide aggregation?Batuhan Kav, Birgit StrodelThe Journal of Physical Chemistry. B|May 24, 2021
The Effects of Different Glycosaminoglycans on the Structure and Aggregation of the Amyloid-β (16-22) PeptideSuman Samantray, Birgit StrodelInternational Journal of Molecular Sciences|July 29, 2023
Transition Networks Unveil Disorder-to-Order Transformations in A<i>β</i> Caused by Glycosaminoglycans or LipidsMoritz Schäffler, Suman Samantray, Birgit StrodelInternational Journal of Molecular Sciences|November 13, 2021
The Influences of Sulphation, Salt Type, and Salt Concentration on the Structural Heterogeneity of GlycosaminoglycansSuman Samantray, Olujide O Olubiyi, Birgit StrodelProteins|November 15, 2023
Effects of ion type and concentration on the structure and aggregation of the amyloid peptide A <math> </math>Eva Smorodina, Batuhan Kav, Hebah Fatafta, et al.Chemical Science|May 27, 2021
Thermodynamics and kinetics of the amyloid-β peptide revealed by Markov state models based on MD data in agreement with experimentArghadwip Paul, Suman Samantray, Marco Anteghini, et al.Biophysical Chemistry|November 16, 2021
Disorder-to-order transition of the amyloid-β peptide upon lipid bindingHebah Fatafta, Batuhan Kav, Bastian F Bundschuh, et al.Progress in Molecular Biology and Translational Science|October 17, 2021
Molecular simulations of IDPs: From ensemble generation to IDP interactions leading to disorder-to-order transitionsHebah Fatafta, Suman Samantray, Abdallah Sayyed-Ahmad, et al.Bioorganic Chemistry|July 20, 2020
β-Turn mimetic synthetic peptides as amyloid-β aggregation inhibitorsStefanie Deike, Sven Rothemund, Bruno Voigt, et al.Pageof 102