Published August 13, 2022
| Version v1
Dataset
Open
Etidocaine binding to POPC membrane, CHARMM36-ParamChem, 138 mM, 298 K
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
(20.4 GB)
| Name | Size | |
|---|---|---|
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md5:f192020212706d670b8f041260a75b2a
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14.0 MB | Download |
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md5:44544281ae58d50dcc6534b524b600ea
|
23.5 MB | Download |
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md5:42a1457dc96831a036e69c9a8708a812
|
26.2 MB | Download |
|
md5:afb9c18e31e319f2ac40473abbd27229
|
7.4 MB | Download |
|
md5:34c0f03f64009a4ae990f1bcca5bf5e3
|
1.2 kB | Download |
|
md5:33d8ffcbeeefd3a0699b05b151aee212
|
525 Bytes | Download |
|
md5:1aa06c7f8190e9331fd73296bc9e6e09
|
15.3 MB | Download |
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etidocaine_POPC_CHARMM_298K_Cl_countra_140mM_177600waters_paramchem_simulation2_run2022_original.xtc
md5:f6f7f3612504d263d08ced1d30e45972
|
20.3 GB | Download |
|
md5:9c4925f9d11997dec8f08ebb9ae67580
|
2.1 kB | Download |
|
md5:648288af19f2523292d71ff36744ac55
|
218.7 kB | Download |