Data · dataset · 2022
Supporting information for the role of the extrafibrillar volume on the mechanical properties of molecular models of mineralized bone microfibrils
Listed in REDU - Unicamp Institutional Research Data Repository
Description
These files and scripts belong to the Supporting Information of the article: The Role of the Extrafibrillar Volume on the Mechanical Properties of Molecular Models of Mineralized Bone Microfibrils Amadeus C. S. de Alcântara, Levi C. Felix, Douglas S. Galvão, Paulo Sollero, Munir S. Skaf ACS Biomaterials Science & Engineering 2022 doi.org/10.1021/acsbiomaterials.2c00728 The article, together with these files, aims to provide a detailed prescription on how to convert molecular bone models, previously equilibrated by about ~100 ns in NAMD, to LAMMPS.
Files describing how to perform tensile tests with MD simulation in LAMMPS are also provided.
Links
Where it is published
- Dataverse dataset page redu.unicamp.br/dataset.xhtml?persistentId=doi%3A10.25824%2Fredu%2F3AKXGZ ↗
landing page · from redu unicamp br
- DOI doi.org/10.25824/redu/3akxgz ↗
DOI / persistent id · from redu unicamp br
Catalogue records · 1
- Dataverse API redu.unicamp.br/api/datasets/:persistentId/?persistentId=doi%3A10.25824%2Fredu… ↗
metadata API · from redu unicamp br
Topics
- Stated by source
- Chemistry · Engineering · Medicine, Health and Life Sciences
- From keywords
- Chemistry · Engineering · Life Sciences · Medicine & Health
- Inferred from text
- Macromolecular and materials chemistry 70% · Simulation 75%
Provenance · 1 source records, 15 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| REDU - Unicamp Institutional Research Data Repository | doi:10.25824/redu/3AKXGZ | 12 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].anzsrc:group:3403 | enrichment · redu unicamp br | taxonomy-embedding@1.1.0 | title+keywords+description (70%) |
| concepts[field].dataverse_subject:chemistry | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].dataverse_subject:engineering | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].dataverse_subject:medicine-health-and-life-sciences | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].local:field:chemistry | mapping · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].local:field:engineering | mapping · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].local:field:life-sciences | mapping · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[field].local:field:medicine-health | mapping · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /subjects |
| concepts[method].local:method:simulation | enrichment · redu unicamp br | keyword-concept-rules@1.0.0 | title+description (75%) |
| created_date | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | |
| description | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /description |
| publication_date | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | |
| title | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | /name |
| updated_date | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 | |
| version_label | source · redu unicamp br | connector:redu_unicamp_br@1.0.0 |