2023
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| Arne Thies, Vikram Sunkara, Sourav Ray, Hanna Wulkow, M. Özgür Celik, Fatih Yergöz, Christof Schütte, Christoph Stein, Marcus Weber, Stefanie Winkelmann |
Modelling altered signalling of G-protein coupled receptors in inflamed environment to advance drug design
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Scientific Reports, 13(607), 2023 |
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2022
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| Sourav Ray, Konstantin Fackeldey, Christoph Stein, Marcus Weber |
Coarse Grained MD Simulations of Opioid interactions with the µ-opioid receptor and the surrounding lipid membrane
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2022 (under review) |
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| Anup K. Prasad, Chandni Tiwari, Sourav Ray, Stephanie Holden, David A. Armstrong, K. Johan Rosengren, Alison Rodger, Ajay S. Panwar, Lisandra L. Martin |
Secondary Structure Transitions for a Family of Amyloidogenic, Antimircobial Uperin 3 Peptides in Contact with Sodium Dodecyl Sulfate
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ChemPlusChem, Vol.87, p. e202100408, 2022 |
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2021
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| Sourav Ray, Arne Thies, Vikram Sunkara, Hanna Wulkow, Özgür Celik, Fatih Yergöz, Christof Schütte, Christoph Stein, Marcus Weber, Stefanie Winkelmann |
Modelling altered signalling of G-protein coupled receptors in inflamed environment to advance drug design
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ZIB-Report 21-19 |
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2020
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| Sourav Ray, Vikram Sunkara, Christof Schütte, Marcus Weber |
How to calculate pH-dependent binding rates for receptor-ligand systems based on thermodynamic simulations with different binding motifs
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Molecular Simulation, 46(18), pp. 1443-1452, 2020 (preprint available as ZIB-Report 20-18) |
PDF (ZIB-Report)
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| Robert Julian Rabben, Sourav Ray, Marcus Weber |
ISOKANN: Invariant subspaces of Koopman operators learned by a neural network
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The Journal of Chemical Physics, 153(11), p. 114109, 2020 |
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