| Different force fields give rise to different amyloid aggregation pathways in molecular dynamics simulations S Samantray, F Yin, B Kav, B Strodel Journal of chemical information and modeling 60 (12), 6462-6475, 2020 | 54 | 2020 |
| Thermodynamics and kinetics of the amyloid-β peptide revealed by Markov state models based on MD data in agreement with experiment A Paul, S Samantray, M Anteghini, M Khaled, B Strodel Chemical science 12 (19), 6652-6669, 2021 | 30 | 2021 |
| β-Turn mimetic synthetic peptides as amyloid-β aggregation inhibitors S Deike, S Rothemund, B Voigt, S Samantray, B Strodel, WH Binder Bioorganic chemistry 101, 104012, 2020 | 14 | 2020 |
| Molecular dynamics simulation of protein biosurfactants DL Cheung, S Samantray Colloids and Interfaces 2 (3), 39, 2018 | 14 | 2018 |
| Molecular dynamics simulations of protein aggregation: protocols for simulation setup and analysis with Markov state models and transition networks S Samantray, W Schumann, AM Illig, M Carballo-Pacheco, A Paul, B Barz, ... Computer Simulations of Aggregation of Proteins and Peptides, 235-279, 2022 | 9 | 2022 |
| Effect of the air–water interface on the conformation of amyloid beta S Samantray, DL Cheung Biointerphases 15 (6), 061011, 2020 | 8 | 2020 |
| The Influences of Sulphation, Salt Type, and Salt Concentration on the Structural Heterogeneity of Glycosaminoglycans S Samantray, OO Olubiyi, B Strodel International journal of molecular sciences 22 (21), 11529, 2021 | 6 | 2021 |
| Molecular simulations of IDPs: from ensemble generation to IDP interactions leading to disorder-to-order transitions H Fatafta, S Samantray, A Sayyed-Ahmad, O Coskuner-Weber, B Strodel Progress in molecular biology and translational science 183, 135-185, 2021 | 5 | 2021 |
| The effects of different glycosaminoglycans on the structure and aggregation of the amyloid-β (16–22) peptide S Samantray, B Strodel The Journal of Physical Chemistry B 125 (21), 5511-5525, 2021 | 3 | 2021 |
| NMRlipids Databank makes data-driven analysis of biomembrane properties accessible for all A Kiirikki, H Antila, L Bort, P Buslaev, F Fernando, TM Ferreira, P Fuchs, ... | | 2023 |
| Advances in structure-based virtual screening for drug discovery OO Olubiyi, S Samantray, AM Illig Advances in Protein Molecular and Structural Biology Methods, 387-404, 2022 | | 2022 |
| Essays on the interplay between glycosaminoglycans and amyloid-β peptides S Samantray, A Lüchow, B Strodel Fachgruppe Chemie, 2021 | | 2021 |
| Studies of small protein fragments are not representative of full amyloid fibrils A Bandari Scilight 2020 (51), 511105, 2020 | | 2020 |
Birgit StrodelProfessor, Computational Biochemistry, Research Centre Jülich & University Düsseldorf, GermanyVerified email at strodel.info
