Published March 7, 2025
| Version v2
Dataset
Open
Structural Insights into Antagonist Recognition by the Vasopressin V2 Receptor
Authors/Creators
Description
These files contain the molecular dynamics (MD) simulation trajectories, initial coordinate files, and simulation input files for the V2R–tolvaptan and V2R–conivaptan systems. For each system, three independent 1000-ns trajectories were generated.
To facilitate storage and uploading, each trajectory was divided into five 200-ns segments and compressed separately. Scripts for decompressing and merging the segments into continuous trajectories are provided in the traj_un7z_merge_scripts folder.
Please use the corresponding TVP.dry.prmtop and CVP.dry.prmtop topology files for analysis and visualization.
Files
Files
(26.8 GB)
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md5:d4d102d8db882d7f4ef86978afafd3ef
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531.8 MB | Download |
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md5:642d92b2fe04091b7ec2527224874e39
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789.5 MB | Download |
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md5:7f69b358fdf6c4aa41f98988b1a1f3e1
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789.6 MB | Download |
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md5:73e2eb2d9f99d38bac730063c45f68f7
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789.8 MB | Download |
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md5:19a46a422995bf412aefda023a898ba6
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789.8 MB | Download |
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md5:fbc8938d1feaa49e73a52092e2d2c257
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789.8 MB | Download |
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md5:31d87c0dfe51fafd60763fe3b4703566
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531.8 MB | Download |
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md5:0d3dd69fcbdbeb1218060bc0b51a2fd8
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789.3 MB | Download |
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md5:004f1bb4bcea9c5de1783e63b96bbc36
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789.3 MB | Download |
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md5:eeb5a189a2631a5fe3e8c9bd75c3033f
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789.0 MB | Download |
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md5:d7bcd90d851dd4c7ecdb528eeb0cc5d8
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788.9 MB | Download |
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md5:c0e5f3df957a8b77867668a4e0763db5
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788.7 MB | Download |
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md5:9483cab878177fa12393cb04d7a24724
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531.8 MB | Download |
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md5:16b68b8bcaec89718feb591c3ad1713a
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789.2 MB | Download |
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md5:aa86c035d8b8116e5c83d6f30cd93139
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789.5 MB | Download |
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md5:0fc49aa887a2c0708e33bc6c063993d1
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789.4 MB | Download |
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md5:04d7491f366b1c05137eef207d007ebf
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789.6 MB | Download |
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md5:dfda533c6baeb89ada0a2a647c238b05
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789.6 MB | Download |
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md5:fc63946c30dfa5a681437d391f5ab98b
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2.4 MB | Download |
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md5:3a9a79c44263221777a62d79ec0c45e5
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227.2 kB | Download |
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md5:f5ca30c7c429e670659deb679797b8ce
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529.6 MB | Download |
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md5:a6d4c82c11e5f640194be5216dcc4655
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785.6 MB | Download |
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md5:95fd2a1663a7865369e66ce43cbaf051
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785.5 MB | Download |
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md5:e156d706bcd2cecf4ced1b039dff3962
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785.3 MB | Download |
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md5:543f71e3da7961dbc59e32636521ff35
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785.4 MB | Download |
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md5:7f3da79d452feb0f76208e8618a9e69a
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785.4 MB | Download |
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md5:6148fb6badcacc191e9dbe04f77f65bc
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529.6 MB | Download |
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md5:e50dbad52346d18c51ff2848f919a4fd
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785.7 MB | Download |
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md5:6e6329e0a949ccb0ce3e8e4a73b32437
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785.6 MB | Download |
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md5:4189052b5189847dd1aaa120e40bf24d
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785.7 MB | Download |
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md5:bd32a442dd02c12fc149de8ce5ed2ed8
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785.4 MB | Download |
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md5:4d4d1c39080290cff4267d8fcbb3bcda
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785.4 MB | Download |
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md5:6973e4ad7eb7362addd961215d82daf1
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529.6 MB | Download |
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md5:6535f92f0684846621c074b7f7d8651f
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785.5 MB | Download |
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md5:cddbcb2727b9f72c0f0c05a8567d0dbd
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785.5 MB | Download |
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md5:a0caa193918b80b31af7a081b7bd2a82
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785.5 MB | Download |
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md5:a1a62fa5db363184270c5fad7490a7a1
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785.7 MB | Download |
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md5:ef0702a71e1f7aa57cb9dd7f53277a66
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785.8 MB | Download |