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401 to 410 of 11,662 Results
compound_10g_2_best.mol2
Nov 28, 2025 - Coordinate files and representative results for docking of HDACs with phorbazole analogues
Unknown - 7.5 KB - MD5: 71c3ff237e62680c743c82dab5dafb1e
compound_10g_2.mol2
Nov 28, 2025 - Coordinate files and representative results for docking of HDACs with phorbazole analogues
Unknown - 4.2 KB - MD5: 45993505307542b91c3084e4636595bb
compound_10g_best.mol2
Nov 28, 2025 - Coordinate files and representative results for docking of HDACs with phorbazole analogues
Unknown - 7.5 KB - MD5: cbd35b1c0b362ff204cb9e76dd29be6f
HDAC_classI_dockingresults.pse
Nov 28, 2025 - Coordinate files and representative results for docking of HDACs with phorbazole analogues
Unknown - 14.8 MB - MD5: 54d6b14ac372a7180d1bda2af66763c9
HDAC_classII_dockingresults.pse
Nov 28, 2025 - Coordinate files and representative results for docking of HDACs with phorbazole analogues
Unknown - 6.4 MB - MD5: 2c95e3a322dcabac5f5580b9cb34899e
Molecular dynamic trajectories for HDAC9 binding analysis
Nov 28, 2025
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
03_Prod_equilibration.nc
Nov 28, 2025 - Molecular dynamic trajectories for HDAC9 binding analysis
Network Common Data Form - 135.7 MB - MD5: f505e359090c7aad36b22b57544d9144
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