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  1. A000J/records.jsonl +3 -0
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A000J/records.jsonl ADDED
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1
+ {
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+ "accession": "A001K",
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+ "NAME": "Dynarepo 1MXE",
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+ "DESCRIPTION": "PPI from PDBbind, Classical MD simulations, 3 replicates of 500 ns",
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+ "AUTHORS": [
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+ "Omid Mokhtari",
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+ "Hamed Khakzad",
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+ "Yasaman Karami"
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+ ],
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+ "GROUPS": [
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+ "Delta team, Inria center at the University of Lorraine"
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+ ],
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+ "LICENSE": "Apache License 2.0",
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+ "LINKCENSE": "https://www.apache.org/licenses/LICENSE-2.0",
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+ "CITATION": "DynaRepo citation",
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+ "THANKS": "DynaRepo Acknowledgements",
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+ "1MXE"
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+ "EF-hand 2",
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+ "EF-hand 3",
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+ "EF-hand 4",
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+ "Not N6-methylated",
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+ "Calcium/calmodulin-dependent protein kinase type 1",
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+ "CHARMM36m"
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+ "Hamed Khakzad",
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+ "clusters_01_screenshot_17.jpg",
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+ "clusters_01_screenshot_18.jpg",
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+ "clusters_01_screenshot_19.jpg",
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+ "pocket_01.pdb",
169
+ "pocket_02.pdb",
170
+ "pocket_03.pdb"
171
+ ],
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+ "analyses": [
173
+ "clusters",
174
+ "clusters-00",
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+ "clusters-01",
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+ "dist-perres",
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+ "energies",
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+ "fluctuation",
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+ "hbonds",
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+ "interactions",
181
+ "pca",
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+ "pockets",
183
+ "rgyr",
184
+ "rmsd-pairwise",
185
+ "rmsd-perres",
186
+ "rmsds",
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+ "sasa",
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+ "tmscores"
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+ ],
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+ "mdIndex": 0,
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+ "mdNumber": 1,
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+ "refframe": 0,
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+ "internalId": "68403b4b5b71f36ecbdad7b5",
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+ "creationDate": "2025-06-04T12:25:47.000Z",
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+ "identifier": "A0030"
196
+ }