RNA tertiary structure modeling with BRiQ potential in CASP15
Release time:2025/08/26
Hits:
- DOI number:
- 10.1002/prot.26574
- Affiliation of Author(s):
- School of Biomedical Engineering, Suzhou Institute for Advanced Research
- Journal:
- Proteins: Structure, Function, and Bioinformatics
- 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.
- First Author:
- Ke Chen
- Co-author:
- Yaoqi Zhou,Sheng Wang
- Indexed by:
- Journal paper
- Correspondence Author:
- Peng Xiong
- Volume:
- 91
- Issue:
- 12
- Page Number:
- 1771-1778
- ISSN No.:
- 1097-0134
- Translation or Not:
- no
- Date of Publication:
- 2025/07/01
- Included Journals:
- SCI
- Links to published journals:
- https://onlinelibrary.wiley.com/doi/abs/10.1002/prot.26574