Saved in:
| Main Author: | |
|---|---|
| Format: | Recurso digital |
| Language: | |
| Published: |
Zenodo
2025
|
| Subjects: | |
| Online Access: | https://doi.org/10.5281/zenodo.17096455 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866902044961406976 |
|---|---|
| author | Zheng, Wenjun |
| author_facet | Zheng, Wenjun |
| contents | <p>frame_1628.pdb contains the MD frame with maximal R_min</p> <p>trajs_xing_7traj_320.pdb.gz contains 5600 frames of 7 MD trajectories of the NMDAR (including the TMD and LBD-TMD linkers)</p> <p>data_vdw_hb.tar contains data files for intra-N1, intra-N2A and N1-N2A vdw and hb interactions for 5600 MD frames</p> <p>Rmin from HOLE: Rmin.out1</p> <p>mutational data from clinvar and<em> hgmd</em></p> <p>conservation data from consurf</p> <p>machine learning code: ML.py</p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_17096455 |
| institution | Zenodo |
| language | |
| publishDate | 2025 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Molecular dynamics simulation of the truncated NMDA receptor in the open state Zheng, Wenjun GRIN1, GRIN2A, molecular dynamics, NMDA receptor, principal component analysis, machine learning, random forest, root mean squared fluctuations, van der Waals interaction, hydrogen bond <p>frame_1628.pdb contains the MD frame with maximal R_min</p> <p>trajs_xing_7traj_320.pdb.gz contains 5600 frames of 7 MD trajectories of the NMDAR (including the TMD and LBD-TMD linkers)</p> <p>data_vdw_hb.tar contains data files for intra-N1, intra-N2A and N1-N2A vdw and hb interactions for 5600 MD frames</p> <p>Rmin from HOLE: Rmin.out1</p> <p>mutational data from clinvar and<em> hgmd</em></p> <p>conservation data from consurf</p> <p>machine learning code: ML.py</p> |
| title | Molecular dynamics simulation of the truncated NMDA receptor in the open state |
| topic | GRIN1, GRIN2A, molecular dynamics, NMDA receptor, principal component analysis, machine learning, random forest, root mean squared fluctuations, van der Waals interaction, hydrogen bond |
| url | https://doi.org/10.5281/zenodo.17096455 |