Data · dataset · 2025
Molecular Dynamics Simulations of Ubiquitin K11 Mutants
Listed in RADAR and RADAR4Memory — shown once because both records carry DOI 10.48606/rx7md621k9zawfz7
This dataset contains trajectory data of the protein ubiquitin with different amino acid mutations at position 11.
Description
The variants present in this dataset are wt, K11R, K11Q, K11C, and K11Ac (where the epsilon amino acid of lysine is acetylated). For each variant there are 3 replicate simulations with 200 ns simulated time and time steps of 50 ps.
Simulations were performed using the GROMACS simulation package version 2018 and version 2020 and the GROMOS 54a7 force field.
Links
Where it is published
- DOI doi.org/10.48606/rx7md621k9zawfz7 ↗
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
- Biochemistry and cell biology 71% · Simulation 75%
Provenance · 2 source records, 13 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| RADAR | 10.48606/rx7md621k9zawfz7 | 9 d ago | JSON v1 |
| RADAR4Memory | 10.48606/rx7md621k9zawfz7 | 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:group:3101 | enrichment · radar service eu de | taxonomy-embedding@1.1.0 | title+keywords+description (71%) |
| 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 | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/rights |
| 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 |