| _version_ | 1866901166749646848 |
|---|---|
| author | Soumyajit Karmakar |
| author_facet | Soumyajit Karmakar |
| contents | <p>Static studies suggest halogen bonding is absent in Human IYD but cannot capture transient, non-equilibrium interactions during binding. Here, non-equilibrium simulations (SMD, DTW, umbrella sampling) and residue interaction networks reveal dynamic halogen bonding and pathway-dependent interactions.</p> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_19310318 |
| institution | Zenodo |
| language | |
| publishDate | 2026 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | compchemsk/Human_IYD_Halogen_Bonding: Human_IYD_Halogen_Bonding_JCIM Soumyajit Karmakar <p>Static studies suggest halogen bonding is absent in Human IYD but cannot capture transient, non-equilibrium interactions during binding. Here, non-equilibrium simulations (SMD, DTW, umbrella sampling) and residue interaction networks reveal dynamic halogen bonding and pathway-dependent interactions.</p> |
| title | compchemsk/Human_IYD_Halogen_Bonding: Human_IYD_Halogen_Bonding_JCIM |
| url | https://doi.org/10.5281/zenodo.19310318 |