RNA tertiary structure modeling with BRiQ potential in CASP15

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Author(s)
Chen, K
Zhou, Y
Wang, S
Xiong, P
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2023
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Abstract

We describe the modeling method for RNA tertiary structures employed by team AIchemy_RNA2 in the 15th Critical Assessment of Structure Prediction (CASP15). The method consists of the following steps. Firstly, secondary structure information was derived from various manually-verified sources. With this information, the full length RNA was fragmented into structural modules. The structures of each module were predicted and then assembled into the full structure. To reduce the searching conformational space, an RNA structure was organized into an optimal base folding tree. And to further improve the sampling efficiency, the energy surface was smoothed at high temperatures during the Monte Carlo sampling to make it easier to move across the energy barrier. The statistical potential energy function BRiQ was employed during Monte Carlo energy optimization.

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Proteins: Structure, Function and Bioinformatics

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This publication has been entered in Griffith Research Online as an advanced online version.

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Microbiology

Medical biochemistry - proteins and peptides (incl. medical proteomics)

Biological sciences

Mathematical sciences

RNA structure prediction

Statistical potential

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Chen, K; Zhou, Y; Wang, S; Xiong, P, RNA tertiary structure modeling with BRiQ potential in CASP15, Proteins: Structure, Function and Bioinformatics, 2023

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