Theoretical study on the selective binding of BH3-only protein BAD to anti-apoptotic protein BCL-L instead of MCL-1

In this study, molecular dynamics simulations were used to systematically explore the reason why BH3-only protein BAD binds to anti-apoptotic protein BCL- x L but not to MCL-1 to give more theoretical hints for the design of BAD mimetic inhibitors for the dual-targeting of BCL- x L and MCL-1. Starti...

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2024-10, Vol.26 (39), p.2548-25487
Hauptverfasser: Wang, Panpan, Cui, Jinglan, Cheng, Guojie, Zhang, Dawei
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