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http://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/9492| Title: | Unraveling the folding-assisted unbinding mechanism of TCF with its binding partner β-catenin |
| Authors: | VIJAY, AMAL MUKHERJEE, ARNAB Dept. of Chemistry |
| Keywords: | Free-Energy Landscapes Crystal-Structure Hot-Spots 2024 |
| Issue Date: | Jul-2024 |
| Publisher: | Royal Society of Chemistry |
| Citation: | Physical Chemistry Chemical Physics, 26(25), 17481-17488. |
| Abstract: | his study utilizes molecular dynamics simulations aided with multiple walker parallel bias metadynamics to investigate the TCF unbinding mechanism from the beta-catenin interface. The results, consistent with experimental binding affinity calculations, unveil a folding-assisted unbinding mechanism. This study utilizes molecular dynamics simulations aided with multiple walker parallel bias metadynamics to investigate the TCF unbinding mechanism from the beta-catenin interface.T |
| URI: | https://doi.org/10.1039/D4CP01451K http://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/9492 |
| ISSN: | 1463-9076 1463-9084 |
| Appears in Collections: | JOURNAL ARTICLES |
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