Data · dataset · 2023
Replication data for: Introducing the Automated Ligand Searcher (ALISE)
Listed in FDM-DOI-Vergabe
Minimal dataset containing input and log files necessary to reproduce all simulations performed.
Description
Trajectories and restart filles were omitted. The seed used for the Langevin thermostat of the Molecular Dynamics Simulations can be found in the respective logfile.
For a software availiability statement, see the paper.
Links
Where it is published
- Dataverse dataset page dare.uol.de/dataset.xhtml?persistentId=doi%3A10.57782%2FLGTW2K ↗
landing page · from dare uol de
- DOI doi.org/10.57782/lgtw2k ↗
DOI / persistent id · from dare uol de
Catalogue records · 1
- Dataverse API dare.uol.de/api/datasets/:persistentId/?persistentId=doi%3A10.57782%2FLGTW… ↗
metadata API · from dare uol de
Topics
Provenance · 1 source records, 8 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| FDM-DOI-Vergabe | doi:10.57782/LGTW2K | 10 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].dataverse_subject:chemistry | source · dare uol de | connector:dare_uol_de@1.0.0 | /subjects |
| concepts[field].dataverse_subject:physics | source · dare uol de | connector:dare_uol_de@1.0.0 | /subjects |
| created_date | source · dare uol de | connector:dare_uol_de@1.0.0 | |
| description | source · dare uol de | connector:dare_uol_de@1.0.0 | /description |
| publication_date | source · dare uol de | connector:dare_uol_de@1.0.0 | |
| title | source · dare uol de | connector:dare_uol_de@1.0.0 | /name |
| updated_date | source · dare uol de | connector:dare_uol_de@1.0.0 | |
| version_label | source · dare uol de | connector:dare_uol_de@1.0.0 |