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Structure Modeling Protocols for Protein Multimer and RNA in CASP16 With Enhanced MSAs, Model Ranking, and Deep Learning

delete2025-08-01
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OA
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Y
Yuki Kagaya
T
Tsukasa Nakamura
J
Jacob Verburgt
A
Anika Jain
G
Genki Terashi
P
Pranav Punuru
E
Emilia Tugolukova
J
Joon Hong Park
A
Anouka Saha
D
David Huang
D
Daisuke Kihara *
DOI:10.1002/prot.70033delete
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Abstract

Abstract

En 中文
We present the methods and results of our protein complex and RNA structure predictions at CASP16. Our approach integrated multiple state-of-the-art deep learning models with a consensus-based scoring method. To enhance the depth of multiple sequence alignments (MSAs), we employed a large metagenomic sequence database. Model ranking was performed with a state-of-the-art consensus ranking method, to which we added more scoring terms. These predictions were further refined manually based on literature evidence. For RNA, we adopted an ensemble approach that incorporated multiple state-of-the-art methods, centered around our NuFold framework. As a result, our KiharaLab group ranked first in protein complex prediction and third in RNA structure prediction. A detailed analysis of targets that significantly differed from those of other groups highlighted both the strengths of our MSA and scoring strategies, as well as areas requiring further improvement.
Keywords:
CASP
CASP16
kiharalab
model ranking
MSA
protein structure prediction
RNA structure prediction
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P
Proteins Structure Function and Bioinformatics
IF:
2.8
Papers:
6.6K
Citations:
1.4W

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The University of Texas
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119
Papers: 44
Citations: 0
P
Purdue University
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Papers: 2.0W
Citations: 147
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