Publications by authors named "Simon Wengert"

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wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows.
Elena Gelžinytė, Simon Wengert, Tamás K Stenczel, Hendrik H Heenen, Karsten Reuter

J Chem Phys· September 2023

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Cancer lineage-specific regulation of YAP responsive elements revealed through large-scale functional epigenomic screens.
Inês A M Barbosa, Rajaraman Gopalakrishnan, Samuele Mercan, Thanos P Mourikis, Typhaine Martin, Simon Wengert

Nat Commun· July 2023

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Identification of the Transcription Factor ATF3 as a Direct and Indirect Regulator of the LDLR.
Sabine Bauer, Jana Eigenmann, Yuqi Zhao, Julia Fleig, Johann S Hawe, Simon Wengert

Metabolites· September 2022

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A Hybrid Machine Learning Approach for Structure Stability Prediction in Molecular Co-crystal Screenings.
Simon Wengert, Gábor Csányi, Karsten Reuter, Johannes T Margraf

J Chem Theory Comput· July 2022

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Vascular Tissue Specific miRNA Profiles Reveal Novel Correlations with Risk Factors in Coronary Artery Disease.
Katrīna D Neiburga, Baiba Vilne, Sabine Bauer, Dario Bongiovanni, Tilman Ziegler, Simon Wengert

Biomolecules· November 2021

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Systematic dissection of transcriptional regulatory networks by genome-scale and single-cell CRISPR screens.
Rui Lopes, Kathleen Sprouffske, Caibin Sheng, Esther C H Uijttewaal, Adriana Emma Wesdorp, Simon Wengert

Sci Adv· July 2021

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Data-efficient machine learning for molecular crystal structure prediction.
Simon Wengert, Gábor Csányi, Karsten Reuter, Johannes T Margraf

Chem Sci· February 2021

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Mapping Materials and Molecules.
Bingqing Cheng, Ryan-Rhys Griffiths, Simon Wengert, Christian Kunkel, Tamas Stenczel

Acc Chem Res· September 2020

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A Trickster in Disguise: Hyaluronan's Ambivalent Roles in the Matrix.
Lena Bohaumilitzky, Ann-Kathrin Huber, Eva Maria Stork, Simon Wengert, Franziska Woelfl

Front Oncol· October 2017

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