Table · dataset · 2026
Supplemental Material
Listed in ZivaHub and Deakin Research Online and DMU Figshare and HKU DataHub and Swinburne Figshare and DaYta Ya Rona and SUNScholarData and figshare and Loughborough Research Repository and GRANTS Data and UP Research Data Repository — shown once because both records carry DOI 10.60893/figshare.jcp.33551107.v1
The supplementary material provides additional details on methodologies and results of MD simulations described in the main text.
Description
It includes a description of equilibration of slabs with polymer/peptide interfaces, LAMMPS data files showing partiail atomic charges assigned to the polymers, and a LAMMPS input script for performing simulations with a Ewald correction term for the slab geometry.
Links
Where it is published
- DOI doi.org/10.60893/figshare.jcp.33551107.v1 ↗
DOI / persistent id · from zivahub uct ac za
Catalogue records · 1
- OAI-PMH record api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Af… ↗
metadata API · from zivahub uct ac za
Topics
- From keywords
- Astronomy & Astrophysics · Chemistry · Chemistry · Computer Science & AI · Computer Science & AI · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Economics & Finance · Economics & Finance · Engineering · Engineering · Engineering · Engineering · Humanities · Humanities · Humanities · Humanities · Life Sciences · Life Sciences · Life Sciences · Life Sciences · Materials Science · Materials Science · Materials Science · Materials Science · Materials Science · Materials Science · Materials Science · Materials Science · Materials Science · Materials Science · Materials Science · Mathematics & Statistics · Medicine & Health · Medicine & Health · Ocean & Atmospheric Science · Physics · Physics · Physics · Physics · Physics · Physics · Physics · Physics · Physics · Physics · Physics · Psychology & Behavioral Science · Simulation · Simulation · Simulation · Simulation · Simulation · Simulation · Simulation · Simulation · Simulation · Simulation · Simulation · Social Science · Social Science · Social Science · Social Science
- Inferred from text
- Materials engineering 73% · Text 75%
Provenance · 11 source records, 79 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| ZivaHub | oai:figshare.com:article/33551107 | 4 d ago | JSON v1 |
| Deakin Research Online | oai:figshare.com:article/33551107 | 4 d ago | JSON v1 |
| DMU Figshare | oai:figshare.com:article/33551107 | 4 d ago | JSON v1 |
| HKU DataHub | oai:figshare.com:article/33551107 | 4 d ago | JSON v1 |
| Swinburne Figshare | oai:figshare.com:article/33551107 | 4 d ago | JSON v1 |
| DaYta Ya Rona | oai:figshare.com:article/33551107 | 4 d ago | JSON v1 |
| SUNScholarData | oai:figshare.com:article/33551107 | 4 d ago | JSON v1 |
| figshare | oai:figshare.com:article/33551107 | 4 d ago | JSON v1 |
| Loughborough Research Repository | oai:figshare.com:article/33551107 | 3 d ago | JSON v1 |
| GRANTS Data | oai:figshare.com:article/33551107 | 3 d ago | JSON v1 |
| UP Research Data Repository | oai:figshare.com:article/33551107 | 3 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[field].anzsrc:group:4016 | enrichment · zivahub uct ac za | taxonomy-embedding@1.0.0 | title+keywords+description (73%) |
| concepts[field].local:field:astronomy | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:computer-science-ai | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:computer-science-ai | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · researchdata up ac za | connector:researchdata_up_ac_za@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · dayta nwu ac za | connector:dayta_nwu_ac_za@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · dro deakin edu au | connector:dro_deakin_edu_au@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · datahub hku hk | connector:datahub_hku_hk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · grantsdata jst go jp | connector:grantsdata_jst_go_jp@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · scholardata sun ac za | connector:scholardata_sun_ac_za@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · figshare swinburne edu au | connector:figshare_swinburne_edu_au@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · figshare dmu ac uk | connector:figshare_dmu_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:economics-finance | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:economics-finance | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:engineering | mapping · dayta nwu ac za | connector:dayta_nwu_ac_za@1.0.0 | |
| concepts[field].local:field:engineering | mapping · researchdata up ac za | connector:researchdata_up_ac_za@1.0.0 | |
| concepts[field].local:field:engineering | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:engineering | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:humanities | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:humanities | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:humanities | mapping · researchdata up ac za | connector:researchdata_up_ac_za@1.0.0 | |
| concepts[field].local:field:humanities | mapping · dayta nwu ac za | connector:dayta_nwu_ac_za@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · dayta nwu ac za | connector:dayta_nwu_ac_za@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · researchdata up ac za | connector:researchdata_up_ac_za@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · scholardata sun ac za | connector:scholardata_sun_ac_za@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · grantsdata jst go jp | connector:grantsdata_jst_go_jp@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · figshare swinburne edu au | connector:figshare_swinburne_edu_au@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · dayta nwu ac za | connector:dayta_nwu_ac_za@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · datahub hku hk | connector:datahub_hku_hk@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · researchdata up ac za | connector:researchdata_up_ac_za@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · figshare dmu ac uk | connector:figshare_dmu_ac_uk@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · dro deakin edu au | connector:dro_deakin_edu_au@1.0.0 | |
| concepts[field].local:field:mathematics-statistics | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:medicine-health | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:medicine-health | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:ocean-atmospheric | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:physics | mapping · repository lboro ac uk | vocabulary-mapper@1.0.0 | keywords['Physical sciences'] |
| concepts[field].local:field:physics | mapping · figshare swinburne edu au | vocabulary-mapper@1.0.0 | keywords['Physical sciences'] |
| concepts[field].local:field:physics | mapping · zivahub uct ac za | vocabulary-mapper@1.0.0 | keywords['Physical sciences'] |
| concepts[field].local:field:physics | mapping · grantsdata jst go jp | vocabulary-mapper@1.0.0 | keywords['Physical sciences'] |
| concepts[field].local:field:physics | mapping · researchdata up ac za | vocabulary-mapper@1.0.0 | keywords['Physical sciences'] |
| concepts[field].local:field:physics | mapping · datahub hku hk | vocabulary-mapper@1.0.0 | keywords['Physical sciences'] |
| concepts[field].local:field:physics | mapping · figshare com | vocabulary-mapper@1.0.0 | keywords['Physical sciences'] |
| concepts[field].local:field:physics | mapping · figshare dmu ac uk | vocabulary-mapper@1.0.0 | keywords['Physical sciences'] |
| concepts[field].local:field:physics | mapping · scholardata sun ac za | vocabulary-mapper@1.0.0 | keywords['Physical sciences'] |
| concepts[field].local:field:physics | mapping · dro deakin edu au | vocabulary-mapper@1.0.0 | keywords['Physical sciences'] |
| concepts[field].local:field:physics | mapping · dayta nwu ac za | vocabulary-mapper@1.0.0 | keywords['Physical sciences'] |
| concepts[field].local:field:psychology-behavioral | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:social-science | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:social-science | mapping · researchdata up ac za | connector:researchdata_up_ac_za@1.0.0 | |
| concepts[field].local:field:social-science | mapping · dayta nwu ac za | connector:dayta_nwu_ac_za@1.0.0 | |
| concepts[field].local:field:social-science | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[method].local:method:simulation | mapping · grantsdata jst go jp | vocabulary-mapper@1.0.0 | keywords['simulation'] |
| concepts[method].local:method:simulation | mapping · scholardata sun ac za | vocabulary-mapper@1.0.0 | keywords['simulation'] |
| concepts[method].local:method:simulation | mapping · figshare swinburne edu au | vocabulary-mapper@1.0.0 | keywords['simulation'] |
| concepts[method].local:method:simulation | mapping · researchdata up ac za | vocabulary-mapper@1.0.0 | keywords['simulation'] |
| concepts[method].local:method:simulation | mapping · datahub hku hk | vocabulary-mapper@1.0.0 | keywords['simulation'] |
| concepts[method].local:method:simulation | mapping · figshare dmu ac uk | vocabulary-mapper@1.0.0 | keywords['simulation'] |
| concepts[method].local:method:simulation | mapping · figshare com | vocabulary-mapper@1.0.0 | keywords['simulation'] |
| concepts[method].local:method:simulation | mapping · dro deakin edu au | vocabulary-mapper@1.0.0 | keywords['simulation'] |
| concepts[method].local:method:simulation | mapping · zivahub uct ac za | vocabulary-mapper@1.0.0 | keywords['simulation'] |
| concepts[method].local:method:simulation | mapping · repository lboro ac uk | vocabulary-mapper@1.0.0 | keywords['simulation'] |
| concepts[method].local:method:simulation | mapping · dayta nwu ac za | vocabulary-mapper@1.0.0 | keywords['simulation'] |
| concepts[modality].local:modality:text | enrichment · zivahub uct ac za | keyword-concept-rules@1.0.0 | title+description (75%) |
| description | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | /metadata/dc/description |
| license | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | /metadata/dc/rights |
| publication_date | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| title | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | /metadata/dc/title |