Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET-Reference-Cited by-全球学者库

Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET

Published:2023-01-09 Issue:2 Volume:63 Page:643-654
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Zuo Ke¹²³⁴,Capelli Riccardo⁵^ORCID,Rossetti Giulia³⁶⁷^ORCID,Nechushtai Rachel¹^ORCID,Carloni Paolo²³⁸^ORCID

Affiliation:

1. The Alexander Silberman Institute of Life Science, The Hebrew University of Jerusalem, Edmond J. Safra Campus at Givat Ram, 91904 Jerusalem, Israel

2. Department of Physics, RWTH Aachen University, 52074 Aachen, Germany

3. Computational Biomedicine, Institute of Advanced Simulation IAS-5 and Institute of Neuroscience and Medicine INM-9, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany

4. Department of Physics, Università di Ferrara, 44121 Ferrara, Italy

5. Department of Biosciences, Università degli Studi di Milano, Via Celoria 26, 20133 Milan, Italy

6. Jülich Supercomputing Center (JSC), Forschungszentrum Jülich GmbH, 52425 Jülich, Germany

7. Department of Neurology, Faculty of Medicine, RWTH Aachen University, 52074 Aachen, Germany

8. JARA Institute: Molecular Neuroscience and Imaging, Institute of Neuroscience and Medicine INM-11, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany

Funder

H2020 Marie Sklodowska-Curie Actions

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01280

Reference44 articles.

1. MitoNEET is a uniquely folded 2Fe 2S outer mitochondrial membrane protein stabilized by pioglitazone

2. Crystal structure of human mitoNEET reveals distinct groups of iron sulfur proteins

3. Crystallographic Studies of Human MitoNEET

4. The balancing act of NEET proteins: Iron, ROS, calcium and metabolism

5. NEET proteins as novel drug targets for mitochondrial dysfunction

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