Published August 22, 2022
| Version v1
Dataset
Open
Dibucaine binding to POPC membrane, CHARMM36-SwissParam, 15 mM, 298 K, started from overbound
Authors/Creators
Description
System info in README.yaml, including basic analysis - headgroup OP, averaged APL and repead distance, analysis performed only from eqilibrated part of the simulation, marked as "BINDINGEQ"
here:
FILES:
xtc:
NAME: [name]
SIZE: [MB]
MODIFIED: [yyyy-mm-dd time]
LENGTH: [ps]
SAVING_FREQUENCY: [ps]
BEGIN: [ps] - how much of the simulation was simulated before and is excluded
Files
Files
(5.2 GB)
| Name | Size | |
|---|---|---|
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md5:0519abd4fc2dbf7509dbb643dafb0dea
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13.5 MB | Download |
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md5:a22204a1615845c1c50511850254d6d1
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15.6 MB | Download |
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md5:c7c2ff2f816704554e3c239bc4572431
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38.8 MB | Download |
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md5:9ca427bcaccfe43653f920cf78ddbc09
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1.8 MB | Download |
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md5:34c0f03f64009a4ae990f1bcca5bf5e3
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1.2 kB | Download |
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md5:2f52f0d686887aaec52525b8a68f2df5
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15.3 MB | Download |
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md5:24cb7cdcafd17767b3786dd37491b19c
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532 Bytes | Download |
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md5:d91f860c030b18ac72ff24be4bd262cb
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18.1 MB | Download |
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md5:17adbd0f8d56b44895e67b0042665ccc
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5.1 GB | Download |
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md5:5b84b177ab0889753a46318dca670591
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2.0 kB | Download |
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md5:7e6991805f31ea1f84edb953378e4256
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9.9 kB | Download |