Unraveling the folding-assisted unbinding mechanism of TCF with its binding partner β-catenin

dc.contributor.author	VIJAY, AMAL	en_US
dc.contributor.author	MUKHERJEE, ARNAB	en_US
dc.date.accessioned	2025-04-15T06:50:31Z
dc.date.available	2025-04-15T06:50:31Z
dc.date.issued	2024-07	en_US
dc.identifier.citation	Physical Chemistry Chemical Physics, 26(25), 17481-17488.	en_US
dc.identifier.issn	1463-9076	en_US
dc.identifier.issn	1463-9084	en_US
dc.identifier.uri	https://doi.org/10.1039/D4CP01451K	en_US
dc.identifier.uri	http://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/9492
dc.description.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	en_US
dc.language.iso	en	en_US
dc.publisher	Royal Society of Chemistry	en_US
dc.subject	Free-Energy Landscapes	en_US
dc.subject	Crystal-Structure	en_US
dc.subject	Hot-Spots	en_US
dc.subject	2024	en_US
dc.title	Unraveling the folding-assisted unbinding mechanism of TCF with its binding partner β-catenin	en_US
dc.type	Article	en_US
dc.contributor.department	Dept. of Chemistry	en_US
dc.identifier.sourcetitle	Physical Chemistry Chemical Physics	en_US
dc.publication.originofpublisher	Foreign	en_US