Published August 19, 2022
| Version v1
Dataset
Open
Etidocaine binding to POPC membrane, CHARMM36-SwissParam, 418 mM, 298 K, started from overbound
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
(3.7 GB)
| Name | Size | Download all |
|---|---|---|
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md5:407e4b60774488259dc0d50124137801
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6.5 MB | Download |
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md5:34c0f03f64009a4ae990f1bcca5bf5e3
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1.2 kB | Download |
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md5:65b1971d6e6ac349616111c8f80f8ba0
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1.7 MB | Download |
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md5:c6e0cc220dcc3879a8e82257afd7da1a
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530 Bytes | Download |
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md5:fc66b3ab369415cb8cc1dadc67f11f44
|
3.1 MB | Download |
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md5:a06ce8f19f9d3c0f70b9981502a800ad
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3.7 GB | Download |
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md5:09701b5ce82a3cd627725bf512c018d3
|
1.8 kB | Download |
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md5:74f1095aca1d7b9b12cf8c0351e3d3eb
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9.6 kB | Download |