Data · dataset · 2023
Dataset: Combining molecular dynamics simulations and scoring method to computationally model ubiquitylated linker histones in chromatosomes
Listed in RADAR and RADAR4Memory — shown once because both records carry DOI 10.48606/99
The dataset comprises atomistic molecular dynamics simulations of ubiquitylated linker histone H1.
Description
The provided data has been stripped from solvent and subsampled with a 50 ps timestep. The six ubiquitylation sites K30, K41, K47, K51, K56, and K63 can be found in their respective folders.
The starting structures were created by rotating the chi3 angle of the ubiquitylated lysine. The simulation data encompasses the simulations from these starting structures plus so-called expansion simulations started from these initial simulations. Find more info in the provided README.
Links
Where it is published
- DOI doi.org/10.48606/99 ↗
DOI / persistent id · from radar service eu de
Catalogue records · 1
- OAI-PMH record radar-service.eu/oai/OAIHandler?verb=GetRecord&metadataPrefix=oai_dc&identifier… ↗
metadata API · from radar service eu de
Topics
- From keywords
- Chemistry · Chemistry · Earth & Environmental Science · Earth & Environmental Science · Life Sciences · Life Sciences
- Inferred from text
- Cheminformatics and quantitative structure-activity relationships 76% · Simulation 75%
Provenance · 2 source records, 13 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| RADAR | 10.48606/99 | 9 d ago | JSON v1 |
| RADAR4Memory | 10.48606/99 | 9 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].anzsrc:field:340404 | enrichment · radar service eu de | taxonomy-embedding@1.1.0 | title+keywords+description (76%) |
| concepts[field].local:field:chemistry | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[method].local:method:simulation | enrichment · radar service eu de | keyword-concept-rules@1.0.0 | title+description (75%) |
| description | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/description |
| license_text | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| publication_date | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| title | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/title |