In Silico Screening, Molecular Dynamics Simulation and Binding Free Energy Identify Single-Point Mutations That Destabilize P53 and Reduce Binding to DNA.

Shahidul M. Islam, Md. Mehedi Hasan, Jahidul Alam, Anonya Dey, Dylan Molineaux

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS（2024）

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binding affinity,MM/GBSA,molecular dynamic simulation,nonsynonymous single nucleotide polymorphism,p53,Rosetta Flex ddg

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