Exploring Molecular Dynamics–Derived Descriptors for Potential Enhancement of FaSSIF Solubility Estimation J Zhao, A Kabedev, E Hermans, K Sepassi, C Tistaert, C Bergström, ... 2026
Indomethacin forms elusive nanoparticles with calcium in situ causing enhanced permeation across a biomimetic barrier MH Tønning, A Bauer-Brandl, M Brandl, A Kabedev, F Paulus, ... International Journal of Pharmaceutics, 126149 , 2025 2025 Citations: 2
Understanding the transport of drugs across biomimetic barriers of various phospholipid compositions using a combined experimental and computational approach A Kabedev, MH Tønning, A Teleki, A Bauer-Brandl, AC Jacobsen Colloids and Surfaces B: Biointerfaces 253, 114706 , 2025 2025 Citations: 6
Lipid packing contributes to the confinement of caveolae to the plasma membrane E Larsson, A Kabedev, H Pace, J Lindwall, F Bano, RG Parton, ... bioRxiv, 2025.03. 13.643064 , 2025 2025 Citations: 2
Lipid packing frustration in the outer leaflet of the plasma membrane prevents scission of caveolae E Larsson, A Kabedev, H Pace, J Lindwall, B Fouzia, RG Parton, ... bioRxiv , 2025 2025
Molecular dynamics study on micelle-small molecule interactions: developing a strategy for an extensive comparison A Kabedev, CAS Bergström, P Larsson Journal of Computer-Aided Molecular Design 38 (1), 5 , 2024 2024 Citations: 8
Drug solubilization in dog intestinal fluids with and without administration of lipid-based formulations A Parrow, A Kabedev, P Larsson, P Johansson, B Abrahamsson, ... Journal of Controlled Release 371, 555-569 , 2024 2024
Analysis of stabilization mechanisms in β-lactoglobulin-based amorphous solid dispersions by experimental and computational approaches X Zhuo, V Foderà, P Larsson, Z Schaal, CAS Bergström, K Löbmann, ... European Journal of Pharmaceutical Sciences 192, 106639 , 2024 2024 Citations: 16
Mechanisms of drug solubility enhancement induced by β-lactoglobulin-based amorphous solid dispersions X Zhuo, Z Sener, A Kabedev, M Zhao, A Arnous, D Leng, V Fodera, ... Molecular Pharmaceutics 20 (10), 5206-5213 , 2023 2023 Citations: 10
Intrinsic lipolysis rate for systematic design of lipid-based formulations AC Jacobsen, A Kabedev, PD Sinko, JE Palm, CAS Bergström, A Teleki Drug Delivery and Translational Research 13 (5), 1288-1304 , 2023 2023 Citations: 9
Molecular dynamics simulations as a tool to understand drug solubilization in pharmaceutical systems A Kabedev, MS Hossain, P Larsson Elsevier , 2023 2023 Citations: 17
Stabilizing mechanisms of β-lactoglobulin in amorphous solid dispersions of indomethacin A Kabedev, X Zhuo, D Leng, V Fodera, M Zhao, P Larsson, ... Molecular Pharmaceutics 19 (11), 3922-3933 , 2022 2022 Citations: 16
Membrane insertion mechanism of the caveola coat protein Cavin1 KC Liu, H Pace, E Larsson, S Hossain, A Kabedev, A Shukla, ... Proceedings of the National Academy of Sciences 119 (25), e2202295119 , 2022 2022 Citations: 18
Endothelial glycocalyx permeability for nanoscale solutes A Kabedev, V Lobaskin Nanomedicine 17 (13), 979-996 , 2022 2022 Citations: 6
Pharmaceutical profiling and molecular dynamics simulations reveal crystallization effects in amorphous formulations K Edueng, A Kabedev, A Ekdahl, D Mahlin, J Baumann, D Mudie, ... International Journal of Pharmaceutics 613, 121360 , 2022 2022 Citations: 17
Explicit-pH coarse-grained molecular dynamics simulations enable insights into restructuring of intestinal colloidal aggregates with permeation enhancers S Hossain, A Parrow, A Kabedev, RC Kneiszl, Y Leng, P Larsson Processes 10 (1), 29 , 2021 2021 Citations: 18
Molecular dynamics simulations reveal membrane interactions for poorly water-soluble drugs: impact of bile solubilization and drug aggregation A Kabedev, S Hossain, M Hubert, P Larsson, CAS Bergström Journal of Pharmaceutical Sciences 110 (1), 176-185 , 2021 2021 Citations: 48
Molecular dynamics simulations in drug discovery and pharmaceutical development OMH Salo-Ahen, I Alanko, R Bhadane, AMJJ Bonvin, RV Honorato, ... Processes 9 (1), 71 , 2020 2020 Citations: 759
Molecular simulation as a computational pharmaceutics tool to predict drug solubility, solubilization processes and partitioning S Hossain, A Kabedev, A Parrow, CAS Bergström, P Larsson European Journal of Pharmaceutics and Biopharmaceutics 137, 46-55 , 2019 2019 Citations: 129
Structure and elasticity of bush and brush-like models of the endothelial glycocalyx A Kabedev, V Lobaskin Scientific reports 8 (1), 240 , 2018 2018 Citations: 39
MOST CITED SCHOLAR PUBLICATIONS
Molecular dynamics simulations in drug discovery and pharmaceutical development OMH Salo-Ahen, I Alanko, R Bhadane, AMJJ Bonvin, RV Honorato, ... Processes 9 (1), 71 , 2020 2020 Citations: 759
Molecular simulation as a computational pharmaceutics tool to predict drug solubility, solubilization processes and partitioning S Hossain, A Kabedev, A Parrow, CAS Bergström, P Larsson European Journal of Pharmaceutics and Biopharmaceutics 137, 46-55 , 2019 2019 Citations: 129
Molecular dynamics simulations reveal membrane interactions for poorly water-soluble drugs: impact of bile solubilization and drug aggregation A Kabedev, S Hossain, M Hubert, P Larsson, CAS Bergström Journal of Pharmaceutical Sciences 110 (1), 176-185 , 2021 2021 Citations: 48
Structure and elasticity of bush and brush-like models of the endothelial glycocalyx A Kabedev, V Lobaskin Scientific reports 8 (1), 240 , 2018 2018 Citations: 39
Membrane insertion mechanism of the caveola coat protein Cavin1 KC Liu, H Pace, E Larsson, S Hossain, A Kabedev, A Shukla, ... Proceedings of the National Academy of Sciences 119 (25), e2202295119 , 2022 2022 Citations: 18
Explicit-pH coarse-grained molecular dynamics simulations enable insights into restructuring of intestinal colloidal aggregates with permeation enhancers S Hossain, A Parrow, A Kabedev, RC Kneiszl, Y Leng, P Larsson Processes 10 (1), 29 , 2021 2021 Citations: 18
Molecular dynamics simulations as a tool to understand drug solubilization in pharmaceutical systems A Kabedev, MS Hossain, P Larsson Elsevier , 2023 2023 Citations: 17
Pharmaceutical profiling and molecular dynamics simulations reveal crystallization effects in amorphous formulations K Edueng, A Kabedev, A Ekdahl, D Mahlin, J Baumann, D Mudie, ... International Journal of Pharmaceutics 613, 121360 , 2022 2022 Citations: 17
Analysis of stabilization mechanisms in β-lactoglobulin-based amorphous solid dispersions by experimental and computational approaches X Zhuo, V Foderà, P Larsson, Z Schaal, CAS Bergström, K Löbmann, ... European Journal of Pharmaceutical Sciences 192, 106639 , 2024 2024 Citations: 16
Stabilizing mechanisms of β-lactoglobulin in amorphous solid dispersions of indomethacin A Kabedev, X Zhuo, D Leng, V Fodera, M Zhao, P Larsson, ... Molecular Pharmaceutics 19 (11), 3922-3933 , 2022 2022 Citations: 16
Mechanisms of drug solubility enhancement induced by β-lactoglobulin-based amorphous solid dispersions X Zhuo, Z Sener, A Kabedev, M Zhao, A Arnous, D Leng, V Fodera, ... Molecular Pharmaceutics 20 (10), 5206-5213 , 2023 2023 Citations: 10
Intrinsic lipolysis rate for systematic design of lipid-based formulations AC Jacobsen, A Kabedev, PD Sinko, JE Palm, CAS Bergström, A Teleki Drug Delivery and Translational Research 13 (5), 1288-1304 , 2023 2023 Citations: 9
Molecular dynamics study on micelle-small molecule interactions: developing a strategy for an extensive comparison A Kabedev, CAS Bergström, P Larsson Journal of Computer-Aided Molecular Design 38 (1), 5 , 2024 2024 Citations: 8
Understanding the transport of drugs across biomimetic barriers of various phospholipid compositions using a combined experimental and computational approach A Kabedev, MH Tønning, A Teleki, A Bauer-Brandl, AC Jacobsen Colloids and Surfaces B: Biointerfaces 253, 114706 , 2025 2025 Citations: 6
Endothelial glycocalyx permeability for nanoscale solutes A Kabedev, V Lobaskin Nanomedicine 17 (13), 979-996 , 2022 2022 Citations: 6
Indomethacin forms elusive nanoparticles with calcium in situ causing enhanced permeation across a biomimetic barrier MH Tønning, A Bauer-Brandl, M Brandl, A Kabedev, F Paulus, ... International Journal of Pharmaceutics, 126149 , 2025 2025 Citations: 2
Lipid packing contributes to the confinement of caveolae to the plasma membrane E Larsson, A Kabedev, H Pace, J Lindwall, F Bano, RG Parton, ... bioRxiv, 2025.03. 13.643064 , 2025 2025 Citations: 2
Hydrodynamic lift forces on solutes in a tilted nanopillar array: A computer simulation study A Kabedev, M Ross‐Lonergan, V Lobaskin Electrophoresis 38 (19), 2479-2487 , 2017 2017 Citations: 2
Exploring Molecular Dynamics–Derived Descriptors for Potential Enhancement of FaSSIF Solubility Estimation J Zhao, A Kabedev, E Hermans, K Sepassi, C Tistaert, C Bergström, ... 2026
Lipid packing frustration in the outer leaflet of the plasma membrane prevents scission of caveolae E Larsson, A Kabedev, H Pace, J Lindwall, B Fouzia, RG Parton, ... bioRxiv , 2025 2025
