Circuit Topology Approach for the Comparative Analysis of Intrinsically Disordered Proteins.
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ABSTRACT:
SUBMITTER: Scalvini B
PROVIDER: S-EPMC10131221 | biostudies-literature | 2023 Apr
REPOSITORIES: biostudies-literature
Publications
Circuit Topology Approach for the Comparative Analysis of Intrinsically Disordered Proteins.
Scalvini Barbara B Sheikhhassani Vahid V van de Brug Nadine N Heling Laurens W H J LWHJ Schmit Jeremy D JD Mashaghi Alireza A
Journal of chemical information and modeling 20230407 8
Intrinsically disordered proteins (IDPs) lack a stable native conformation, making it challenging to characterize their structure and dynamics. Key topological motifs with fundamental biological relevance are often hidden in the conformational noise, eluding detection. Here, we develop a circuit topology toolbox to extract conformational patterns, critical contacts, and timescales from simulated dynamics of intrinsically disordered proteins. We follow the dynamics of IDPs by providing a smart lo ...[more]
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