RPflex: A Coarse-Grained Network Model for RNA Pocket Flexibility Study.

ABSTRACT: RNA regulates various biological processes, such as gene regulation, RNA splicing, and intracellular signal transduction. RNA's conformational dynamics play crucial roles in performing its diverse functions. Thus, it is essential to explore the flexibility characteristics of RNA, especially pocket flexibility. Here, we propose a computational approach, RPflex, to analyze pocket flexibility using the coarse-grained network model. We first clustered 3154 pockets into 297 groups by similarity calculation based on the coarse-grained lattice model. Then, we introduced the flexibility score to quantify the flexibility by global pocket features. The results show strong correlations between the flexibility scores and root-mean-square fluctuation (RMSF) values, with Pearson correlation coefficients

SUBMITTER: Zhuo C 

PROVIDER: S-EPMC10058308 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature