Published August 22, 2022
| Version v1
Dataset
Open
Dibucaine binding to POPC membrane, CHARMM36-SwissParam, 123 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
(745.8 MB)
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md5:7ecb7f41083d440a995ed049da51a8a2
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4.0 MB | Download |
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md5:6b7facabb9326befb608ed84dfcde083
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7.4 MB | Download |
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md5:56efb97ca8f76f5fbbceb3e848d44f7c
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11.6 MB | Download |
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md5:672299de8ffc5ffad820e51159994528
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813.9 kB | Download |
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md5:34c0f03f64009a4ae990f1bcca5bf5e3
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1.2 kB | Download |
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md5:6d0ef8b13d86c3f1afb2e1a35a489587
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4.1 MB | Download |
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md5:c8849a068238cb65839cea4966746e21
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521 Bytes | Download |
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md5:b0cab508d7a58bfbcfa3e09d94018f26
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5.4 MB | Download |
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md5:23046179da6c4caaa1d6781058755e01
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712.5 MB | Download |
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md5:dd9649cf3d111f37f50c7026e88fea07
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1.8 kB | Download |
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md5:73a0a71249c1b9661f2d47bf7fa621ad
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10.0 kB | Download |