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40 Publications

2026 | Research Data | IST-REx-ID: 21284 |

Becker LM, Schanda P. 2026. Research data for ‘Accelerated 19F biomolecular magic-angle spinning NMR with paramagnetic dopants’, Institute of Science and Technology Austria, 10.15479/AT-ISTA-21284.

[Published Version] View | Files available | DOI

Schneider J, Guillerm U, Simoes Pereira C, Schanda P. 2026. Dynamic disorder is crucial for mitochondrial protein import. Protein Science. 35(6), e70630.

[Published Version] View | Files available | DOI | PubMed | Europe PMC

Becker LM, Toscano G, Kapitonova A, Singh R, Guillerm U, Lichtenecker RJ, Schanda P. 2026. Accelerated 19F biomolecular magic-angle spinning NMR with paramagnetic dopants. Magnetic Resonance. 7(1), 29–37.

2026 | Published | Journal Article | IST-REx-ID: 22638

Lends A, Lamon G, Vallet A, Grélard A, Morvan E, Aimanianda V, Schanda P, Loquet A. 2026. On-cell detection of polysaccharide one-bond1Jch couplings by proton-detected solid-state NMR. Journal of the American Chemical Society. 148(27), 28037–28042.

View | DOI | PubMed | Europe PMC

Maddipatla SA, Sellam NE, Bojan MI, Masalitin V, Vedula S, Schanda P, Marx A, Bronstein AM. 2026. Experiment-guided AlphaFold3 resolves measurement-consistent protein ensembles. Nature Biotechnology.

2026 | Published | Thesis | PhD | IST-REx-ID: 22334 |

Becker LM. 2026. Exploring protein dynamics using specific labeling approaches for solid-state MAS NMR. Institute of Science and Technology Austria.

[Published Version] View | Files available | DOI

Becker LM, Fu H, Tatman B, Dreydoppel M, Kapitonova A, Balazs D, Weininger U, Engilberge S, Chipot C, Schanda P. 2026. Aromatic ring flips reveal reshaping of protein dynamics in crystals and complexes. Nature Chemistry. 18, 1221–1230.

[Published Version] View | Files available | DOI | PubMed | Europe PMC

2026 | Research Data | IST-REx-ID: 21145 |

Becker LM, Schanda P, Chipot C. 2026. Additional Data for ‘Aromatic Ring Flips Reveal Reshaping of Protein Dynamics in Crystals and Complexes’, Institute of Science and Technology Austria, 10.15479/AT-ISTA-21145.

[Published Version] View | Files available | DOI

2026 | Published | Conference Paper | IST-REx-ID: 22722 |

Bojan MI, Vedula S, Maddipatla SA, Sellam NE, Rzayev A, Napoli F, Schanda P, Bronstein AM. 2026. Representing local protein environments with machine learning force fields. 14th International Conference on Learning Representations. ICLR: International Conference on Learning Representations vol. 2026, 100760–100799.

[Published Version] View | Files available | arXiv

2026 | Research Data | IST-REx-ID: 22687 |

Schanda P, Napoli F. 2026. Data and scripts for: ‘Integrated solid/solution NMR assignment allows mapping dynamics and ligand binding in a 134 kDa enzyme’, Institute of Science and Technology Austria, 10.15479/AT-ISTA-22687.

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2025 | Published | Conference Paper | IST-REx-ID: 21327 |

Maddipatla SA, Sellam NE, Bojan MI, Vedula S, Schanda P, Marx A, Bronstein AM. 2025. Inverse problems with experiment-guided AlphaFold. Proceedings of the 42nd International Conference on Machine Learning. ICML: International Conference on Machine Learning, PMLR, vol. 267, 42366–42393.

[Published Version] View | Files available | arXiv

2025 | Published | Journal Article | IST-REx-ID: 19072

Lends A, Lamon G, Delcourte L, Sturny-Leclere A, Grélard A, Morvan E, Abdul-Shukkoor MB, Berbon M, Vallet A, Habenstein B, Dufourc EJ, Schanda P, Aimanianda V, Loquet A. 2025. Molecular distinction of cell wall and capsular polysaccharides in encapsulated pathogens by in situ magic-angle spinning NMR techniques. Journal of the American Chemical Society. 147(8), 6813–6824.

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Rohden D, Toscano G, Schanda P, Lichtenecker RJ. 2025. Synthesis of selectively 13C/2H/15N- labeled arginine to probe protein conformation and interaction by NMR spectroscopy. Chemistry - A European Journal. 31(24), e202500408.

2025 | Research Data | IST-REx-ID: 19696 |

Tatman B. 2025. Dataset for ‘Bumps on the Road: The Way to Clean Relaxation Dispersion in the Solid State’, Institute of Science and Technology Austria, 10.15479/AT-ISTA-19696.

[Published Version] View | Files available | DOI

Castell SD, Fernandez CM, Tumas IN, Margara LM, Miserendino MC, Ceschin DG, Pezza RJ, Monti MR. 2025. The low-fidelity DNA Pol IV accelerates evolution of pathogenicity genes in Pseudomonas aeruginosa. Communications Biology. 8, 1148.

2025 | Research Data | IST-REx-ID: 20242 |

Schanda P. 2025. Data of: ‘Quantifying the carbon footprint of conference travel: the case of NMR meetings’, Institute of Science and Technology Austria, 10.15479/AT-ISTA-20242.

[Published Version] View | Files available | DOI

Tatman B, Sridharan V, Uttarkabat M, Jaroniec CP, Ernst M, Rovo P, Schanda P. 2025. Bumps on the road: The way to clean relaxation dispersion magic-angle spinning NMR. Journal of the American Chemical Society. 147(32), 29315–29326.

Kapoor L, Ruzickova N, Zivadinovic P, Leitner V, Sisak MA, Mweka CN, Dobbelaere JA, Katsaros G, Schanda P. 2025. Quantifying the carbon footprint of conference travel: The case of NMR meetings. Magnetic Resonance. 6(2), 243–256.

[Published Version] View | Files available | DOI

earlier version | 2025 | Research Data | IST-REx-ID: 20641 |

Becker LM, Schanda P. 2025. Data for ‘Aromatic Ring Flips Reveal Reshaping of Protein Dynamics in Crystals and Complexes’, Institute of Science and Technology Austria, 10.15479/AT-ISTA-20641.

[Published Version] View | Files available | DOI

Knödlstorfer S, Toscano G, Ptaszek AL, Kontaxis G, Napoli F, Schneider J, Maier K, Kapitonova A, Lichtenecker RJ, Schanda P, Konrat R. 2025. A novel HMBC-CC-HMQC NMR strategy for methyl assignment using triple-13C-labeled α-ketoisovalerate integrated with UCBShift 2.0. Journal of Molecular Biology. 437(23), 169465.

[Published Version] View | Files available | DOI | PubMed | Europe PMC

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