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Molecular dynamic trajectories for HDAC9 binding analysis
Nov 28, 2025 - UiT The Arctic University of Norway
Guillaume Axel Petit, 2025, "Molecular dynamic trajectories for HDAC9 binding analysis", https://doi.org/10.18710/WUJCYB, DataverseNO, V1
This data consist in the models, topology files, parameters files and trajectories of molecular dynamics simulations of the catalytic domain of human HDAC9 and small molecule inhibitor "4-(2-(1H-pyrrol-2-yl)oxazol-5-yl) aniline", also known as compound 9 from publication: "Investigation of the histone deacetylase inhibitor potential of phorbazole a...
00_README.txt
Nov 28, 2025 - Molecular dynamic trajectories for HDAC9 binding analysis
Plain Text - 12.1 KB - MD5: 3dd0c584b084d53b040a7df918039455
Read me file
03_equilibration.in
Nov 28, 2025 - Molecular dynamic trajectories for HDAC9 binding analysis
Plain Text - 1.1 KB - MD5: 6d6c089dd54a07b34cff47c622cc2726
03_prod_15ns.in
Nov 28, 2025 - Molecular dynamic trajectories for HDAC9 binding analysis
Plain Text - 1.2 KB - MD5: d79a0fbeb48379406a06df39653f7818
compound9.frcmod
Nov 28, 2025 - Molecular dynamic trajectories for HDAC9 binding analysis
Unknown - 1.8 KB - MD5: d24adad2d05d5db263e3c42646aeb162
compound9.mol2
Nov 28, 2025 - Molecular dynamic trajectories for HDAC9 binding analysis
Unknown - 3.1 KB - MD5: 9cea9ef25e0e91d3dedeffe89d77c91b
HDAC9_down.mol2
Nov 28, 2025 - Molecular dynamic trajectories for HDAC9 binding analysis
Unknown - 6.3 MB - MD5: 033965877d1603a716baf449ddaba237
HDAC9_down_C4.crd
Nov 28, 2025 - Molecular dynamic trajectories for HDAC9 binding analysis
application/x-mscardfile - 2.1 MB - MD5: dc600171760f100fd69b52f83b14807d
HDAC9_down_C4.top
Nov 28, 2025 - Molecular dynamic trajectories for HDAC9 binding analysis
Unknown - 10.7 MB - MD5: a34f2a900a63e893015f0c21b1501b4c
LigandDown_heat.ncrst
Nov 28, 2025 - Molecular dynamic trajectories for HDAC9 binding analysis
Unknown - 2.7 MB - MD5: 605f5309ad3e02f73c0a255f83ce3925
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