pcbi.1011519.s001.pdf (140.49 kB)

Molecular dynamics simulations performed in this study.

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posted on 2024-02-07, 18:41 authored by Te Liu, Sichao Huang, Qian Zhang, Yu Xia, Manjie Zhang, Bin Sun

Molecular dynamics simulations performed in this study.

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terminal linker —suggested similar surfaces scale molecular dynamics intrinsically disordered regions free energy calculations dependent cell apoptosis crystal packing shifts single crystal structure idrs ), attesting determined binding mode binding modes towards sampled ensemble complexes protein contacting residues ensemble binding framework ensemble binding complexes binding modes determined p53 complexes facilitates solution nmr data enable iaspp ’div >< p binding modes determined one sub ><solution nmr single crystallgarphy p53 ’idrs contribute ensemble perspective related protein protein interactions values compared two classes thus propose simulations combined simulated iaspp sh3 domains rt loop results provide respectively promote reconciling aspp inhibit p53 important cancer experimental observations employed multi biological functions average inter aspp proteins >

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