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b/data/files/A00KE/project.json new file mode 100644 index 0000000000000000000000000000000000000000..3ba72687b5b6ec32e27ffb6f603170eba3ae9852 --- /dev/null +++ b/data/files/A00KE/project.json @@ -0,0 +1,1447 @@ +{ + "accession": "A00KE", + "published": true, + "metadata": { + "NAME": "DynaRepo 1KX5_csn", + "DESCRIPTION": "Classical MD simulations, 5 replicas of 2000 ns, nucleosome core particle with alpha-satellite DNA sequence and one S-nitrosylated H3C110, PDB id 1KX5", + "AUTHORS": [ + "Yasaman Karami", + "Roy Gonzalez-Aleman", + "Mailys Duch", + "Yuya Qiu", + "Yani Kedjar", + "Emmanuelle Bignon" + ], + "GROUPS": [ + "Delta team, Inria center at the University of Lorraine", + "Laboratoire de Physique et Chimie Theoriques" + ], + "CONTACT": "emmanuelle.bignon@univ-lorraine.fr", + "PROGRAM": "Amber", + "VERSION": "20", + "TYPE": "trajectory", + "METHOD": "Classical MD", + "LICENSE": "Apache License 2.0", + "LINKCENSE": "https://www.apache.org/licenses/LICENSE-2.0", + "CITATION": "Karami, Y., Gonzalez-Aleman, R., Duch, M., Qiu, Y., Kedjar, Y., & Bignon, E. 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Histone tails were reconstructed from the 1KX5 structure.", + "AUTHORS": [ + "Ekaterina Smirnova", + "Emmanuelle Bignon", + "Patrick Schultz", + "Gabor Papai", + "Adam Ben Shem" + ], + "GROUPS": [ + "Department of Integrated Structural Biology, Institut de Genetique et de Biologie Mol\u00e9culaire et Cellulaire", + "Laboratoire de Physique et Chimie Theoriques" + ], + "CONTACT": "emmanuelle.bignon@univ-lorraine.fr", + "PROGRAM": "Amber", + "VERSION": "20", + "TYPE": "trajectory", + "METHOD": "Classical MD", + "LICENSE": "Apache License 2.0", + "LINKCENSE": "https://www.apache.org/licenses/LICENSE-2.0", + "CITATION": "Smirnova, E., Bignon, E., Schultz, P., Papai, G., & Shem, A. B. (2024). Binding to nucleosome poises human SIRT6 for histone H3 deacetylation. 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