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Showing 1–10 of 10 results

Advanced filters: Author: Niklas Gebauer Clear advanced filters

Inverse design of 3d molecular structures with conditional generative neural networks

The targeted discovery of molecules with specific structural and chemical properties is an open challenge in computational chemistry. Here, the authors propose a conditional generative neural network for the inverse design of 3d molecular structures.

Niklas W. A. Gebauer
Michael Gastegger
Kristof T. Schütt
ResearchOpen Access21 Feb 2022
Nature Communications

Volume: 13, P: 1-11
Introducing the crystalline phase of dicalcium phosphate monohydrate

Understanding the crystal structure of different calcium phosphates is important for a range of different subjects from geology to biomedicine. Here, the authors report on the synthesis and determination of the crystal structure of dicalcium phosphate monohydrate.

Bing-Qiang Lu
Tom Willhammar
Denis Gebauer
ResearchOpen Access24 Mar 2020
Nature Communications

Volume: 11, P: 1-8
Genomic insights into the pathogenesis of Epstein–Barr virus-associated diffuse large B-cell lymphoma by whole-genome and targeted amplicon sequencing

Niklas Gebauer
Axel Künstner
Alfred C. Feller
ResearchOpen Access26 May 2021
Blood Cancer Journal

Volume: 11, P: 1-12
Genome-wide DNA methylation-analysis of blastic plasmacytoid dendritic cell neoplasm identifies distinct molecular features

Axel Künstner
Julian Schwarting
Niklas Gebauer
ResearchOpen Access10 Apr 2024
Leukemia

Volume: 38, P: 1086-1098
Clonal evolution and blastic plasmacytoid dendritic cell neoplasm: malignancies of divergent hematopoietic lineages emerging from a common founding clone

Svenja Denker
Axel Künstner
Niklas Gebauer
CorrespondenceOpen Access18 Jun 2024
Leukemia

Volume: 38, P: 1858-1861
Ruxolitinib mediated paradoxical JAK2 hyperphosphorylation is due to the protection of activation loop tyrosines from phosphatases

Sivahari P. Gorantla
Lorenz Oelschläger
Nikolas von Bubnoff
ResearchOpen Access23 Apr 2025
Leukemia

Volume: 39, P: 1678-1691
Accelerating crystal structure search through active learning with neural networks for rapid relaxations

Stefaan S. P. Hessmann
Kristof T. Schütt
Tomoki Yamashita
ResearchOpen Access20 Feb 2025
npj Computational Materials

Volume: 11, P: 1-11
Integrative molecular profiling identifies two molecularly and clinically distinct subtypes of blastic plasmacytoid dendritic cell neoplasm

Axel Künstner
Julian Schwarting
Niklas Gebauer
CorrespondenceOpen Access04 Jul 2022
Blood Cancer Journal

Volume: 12, P: 1-5
Clinicopathological characteristics and MYC status determine treatment outcome in plasmablastic lymphoma: a multi-center study of 76 consecutive patients

Hanno M. Witte
Nadine Hertel
Niklas Gebauer
CorrespondenceOpen Access29 May 2020
Blood Cancer Journal

Volume: 10, P: 1-5
Association between resting-state connectivity patterns in the defensive system network and treatment response in spider phobia—a replication approach

Elisabeth J. Leehr
Fabian R. Seeger
Ulrike Lueken
ResearchOpen Access07 Mar 2024
Translational Psychiatry

Volume: 14, P: 1-12