Publications of Matthias Stein
All genres
Journal Article (100)
2025
Journal Article
Elmaci, D. N., , , , & Stein, M. (2025)The structural integrity of human TFF1 under reducing conditionsRedox Biology, 81, 103534doi: 10.1016/j.redox.2025.103534.
Journal Article
Ilter, M., , Schulze-Niemand, E., , & Stein, M. (2025)Activation and Reactivity of the Deubiquitinylase OTU Cezanne-2 from MD Simulations and QM/MM CalculationsJournal of Chemical Information and Modeling, 65 (2), 921–936doi: 10.1021/acs.jcim.4c01964.
Journal Article
Kweyu, C. M., Khoromskaia, V., , Stein, M., & Benner, P. (2025)Solution Decomposition for the Nonlinear Poisson-Boltzmann Equation using the Range-Separated Tensor FormatSIAM Journal on Scientific Computing, 47 (1), B87–B107doi: 10.1137/23M1580516.
Journal Article
, , , Stein, M., , , & (2025)Fullerene-Doped Poly(ionic liquids) as Small Molecular Gas Sensors─Control of Intermolecular InteractionsACS Omega, 10 (1), 1364–1372doi: 10.1021/acsomega.4c08941.
2024
Journal Article
, Joshi, M., , Stein, M., & Kaur-Ghumaan, S. (2024)Design of Rigidified μ-(9-Fluorenethiolate) {FeFe} Hydrogen Evolving CatalystsOrganometallics, 43 (24), 3096–3105doi: 10.1021/acs.organomet.4c00036.
Journal Article
, , , , , , , , , , , , , , , , , , , , , , , , , Stein, M., & (2024)ProteoCure: A European network to fine-tune the proteomeBiochimie, 226, 4–9doi: 10.1016/j.biochi.2024.06.004.
Journal Article
, Joshi, M., Kaur-Ghumaan, S., & Stein, M. (2024)Hydrogen Evolving Mono‐Nuclear Manganese Complexes with Carefully Positioned Pyridine Base LigandsChemCatChem, 16 (18), e202400450doi: 10.1002/cctc.202400450.
Journal Article
Jameel, F. & Stein, M. (2024)Chemical accuracy for ligand-receptor binding Gibbs energies through multi-level SQM/QM calculationsPhysical Chemistry Chemical Physics, 26, 21197–21203doi: 10.1039/D4CP01529K.
Journal Article
Özkiliç, Y. & Stein, M. (2024)Modelling the elusive conformational activation in kynurenine 3-monooxygenaseOrganic & Biomolecular Chemistry, 22, 6550–6560doi: 10.1039/D4OB00862F.
Journal Article
, Jameel, F., Stein, M., , & (2024)Heteroelements in polyoxometalates: a study on the influence of different group 15 elements on polyoxometalate formationDalton Transactions, 53, 454–466doi: 10.1039/D3DT03883A.
Journal Article
Tenberg, V., Sadeghi, M., Schultheis, A., Joshi, M., Stein, M., & Lorenz, H. (2024)Aqueous solution and solid-state behaviour ofl-homophenylalanine: experiment, modelling, and DFT calculationsRSC Advances, 14, 10580–10589doi: 10.1039/D4RA01897D.
2023
Journal Article
, , , Stein, M., , & (2023)Impact of N-heteroaromatic N-termini in Cu(ii) ATCUN metallopeptides on their biorelevant redox activityDalton Transactions, 52 (11), 3279–3286doi: 10.1039/D2DT02044K.
Journal Article
, Schulze-Niemand, E., , , , , Stein, M., & (2023)Conformational Control of Fast Asparagine Deamidation in a Norovirus Capsid ProteinBiochemistry, 62 (5), 1032–1043doi: 10.1021/acs.biochem.2c00656.
Journal Article
, Schulze-Niemand, E., , , Stein, M., & (2023)Bilayer lipid membrane formation on surface assemblies with sparsely distributed tethersNanoscale, 15, 9759–9774doi: 10.1039/D2NR07069C.
Journal Article
Gerlach, M., Jameel, F., Seidel-Morgenstern, A., Stein, M., & Hamel, C. (2023)Operando characterization of rhodium catalyst degradation in hydroformylationCatalysis Science & Technology, 13 (6), 1788–1801doi: 10.1039/D2CY01807A.
Journal Article
Ilter, M., Schulze-Niemand, E., , & Stein, M. (2023)Structural Dynamics of Lys11-Selective Deubiquitinylase Cezanne-1 during the Catalytic CycleJournal of Chemical Information and Modeling, 63 (7), 2084–2094doi: 10.1021/acs.jcim.2c01281.
Journal Article
Kweyu, C. M., Feng, L., Stein, M., & Benner, P. (2023)Reduced Basis Method for the Nonlinear Poisson-Boltzmann Equation regularized by the Range-Separated Canonical Tensor FormatInternational Journal of Nonlinear Sciences and Numerical Simulation, 24 (8), 2915–2935doi: 10.1515/ijnsns-2021-0103.
Journal Article
, , Jameel, F., Stein, M., , & (2023)Study on the incorporation of various elements into the Keggin lacunary-type phosphomolybdate [PMo9O34]9−and subsequent purification of the polyoxometalates by nanofiltrationInorganic Chemistry Frontiers, 10 (16), 4854–4868doi: 10.1039/D3QI00937H.