Table · dataset · 2026
ENM_BD_data
Listed in figshare and Loughborough Research Repository — shown once because both records carry DOI 10.6084/m9.figshare.33965158.v2
<p dir="ltr">This folder contains data on Elastic Network Model (ENM) Brownian Dynamics (BD) simulations.
Description
Specifically:</p><ul><li>Full conformational ensembles of 1,938 proteins from the ATLAS-MD dataset generated with BD, using ANM, edENM and edENM_mod</li><li>Full conformational ensembles of 6,704 proteins from the NMR dataset generated with BD using edENM_mod</li><li>Files that assess the sampling of ENM-BD, ATLAS-MD and NMR ensembles in terms of maximum RMSD</li><li>Files that assess performance of the ENM-BD to capture ATLAS-MD and NMR ensembles (RMSF PCC, Omax, RMSIP)</li><li>Files that assess the stereochemical quality of the generated conformations (reconstructed with cg2all and atomistic quality assessed with MolProbity)</li></ul><p></p>
Links
Where it is published
- DOI doi.org/10.6084/m9.figshare.33965158.v2 ↗
DOI / persistent id · from figshare com
Catalogue records · 1
- OAI-PMH record api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Af… ↗
metadata API · from figshare com
Topics
- From keywords
- Astronomy & Astrophysics · Biomolecular modelling and design · Biomolecular modelling and design · Chemistry · Chemistry · Computer Science & AI · Computer Science & AI · Earth & Environmental Science · Earth & Environmental Science · Economics & Finance · Economics & Finance · Engineering · Engineering · Humanities · Humanities · Life Sciences · Life Sciences · Materials Science · Mathematics & Statistics · Medicine & Health · Medicine & Health · Ocean & Atmospheric Science · Proteins and peptides · Proteins and peptides · Psychology & Behavioral Science · Social Science · Social Science
Provenance · 2 source records, 32 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| figshare | oai:figshare.com:article/33965158 | 12 d ago | JSON v1 |
| Loughborough Research Repository | oai:figshare.com:article/33965158 | 12 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].anzsrc:field:340402 | mapping · repository lboro ac uk | vocabulary-mapper@1.0.0 | keywords['Biomolecular modelling and design'] |
| concepts[field].anzsrc:field:340402 | mapping · figshare com | vocabulary-mapper@1.0.0 | keywords['Biomolecular modelling and design'] |
| concepts[field].anzsrc:field:340407 | mapping · repository lboro ac uk | vocabulary-mapper@1.0.0 | keywords['Proteins and peptides'] |
| concepts[field].anzsrc:field:340407 | mapping · figshare com | vocabulary-mapper@1.0.0 | keywords['Proteins and peptides'] |
| concepts[field].local:field:astronomy | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:chemistry | 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:computer-science-ai | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:computer-science-ai | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · figshare com | connector:figshare_com@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: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 · figshare com | connector:figshare_com@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:humanities | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:humanities | mapping · figshare com | connector:figshare_com@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:materials-science | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@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:psychology-behavioral | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:social-science | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:social-science | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| description | source · figshare com | connector:figshare_com@1.0.0 | /metadata/dc/description |
| license | source · figshare com | connector:figshare_com@1.0.0 | /metadata/dc/rights |
| publication_date | source · figshare com | connector:figshare_com@1.0.0 | |
| title | source · figshare com | connector:figshare_com@1.0.0 | /metadata/dc/title |