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Protein quality assessment (QA) has played an important role in protein structure prediction. We developed a novel single-model quality assessment method - Qprob. Qprob calculates the absolute error for each protein feature value against…

Quantitative Methods · Quantitative Biology 2016-07-15 Renzhi Cao , Jianlin Cheng

Proteins are miniature machines whose function depends on their three-dimensional (3D) structure. Determining this structure computationally remains an unsolved grand challenge. A major bottleneck involves selecting the most accurate…

Quantitative Methods · Quantitative Biology 2020-11-30 Stephan Eismann , Patricia Suriana , Bowen Jing , Raphael J. L. Townshend , Ron O. Dror

MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…

Biomolecules · Quantitative Biology 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson

Even with the significant advances of AlphaFold-Multimer (AF-Multimer) and AlphaFold3 (AF3) in protein complex structure prediction, their accuracy is still not comparable with monomer structure prediction. Efficient quality assessment (QA)…

Biomolecules · Quantitative Biology 2024-10-24 Bingqing Han , Yipeng Zhang , Longlong Li , Xinqi Gong , Kelin Xia

Protein structure prediction has been a grand challenge problem in the structure biology over the last few decades. Protein quality assessment plays a very important role in protein structure prediction. In the paper, we propose a new…

Machine Learning · Computer Science 2016-02-20 Renzhi Cao , Taeho Jo , Jianlin Cheng

Summary: Protein quality assessment is a long-standing problem in bioinformatics. For more than a decade we have developed state-of-art predictors by carefully selecting and optimising inputs to a machine learning method. The correlation…

Biomolecules · Quantitative Biology 2016-10-19 Karolis Uziela , David Menéndez Hurtado , Björn Wallner , Arne Elofsson

The computational prediction of a protein structure from its sequence generally relies on a method to assess the quality of protein models. Most assessment methods rank candidate models using heavily engineered structural features, defined…

Biomolecules · Quantitative Biology 2018-11-26 Georgy Derevyanko , Sergei Grudinin , Yoshua Bengio , Guillaume Lamoureux

Image quality assessment (IQA) continues to garner great interest in the research community, particularly given the tremendous rise in consumer video capture and streaming. Despite significant research effort in IQA in the past few decades,…

Multimedia · Computer Science 2016-09-26 Prajna Paramita Dash , Akshaya Mishra , Alexander Wong

Understanding protein structure and function is crucial in biology. However, current computational methods are often task-specific and resource-intensive. To address this, we propose zero-shot Protein Question Answering (PQA), a task…

Machine Learning · Computer Science 2024-11-20 Eli M Carrami , Sahand Sharifzadeh

After AlphaFold won the Nobel Prize, protein prediction with deep learning once again became a hot topic. We comprehensively explore advanced deep learning methods applied to protein structure prediction and design. It begins by examining…

Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and powerful computational resources, impacting many fields including protein structural modeling. Protein structural modeling, such as predicting…

Biomolecules · Quantitative Biology 2020-07-17 Wenhao Gao , Sai Pooja Mahajan , Jeremias Sulam , Jeffrey J. Gray

Blind image quality assessment (BIQA) remains a very challenging problem due to the unavailability of a reference image. Deep learning based BIQA methods have been attracting increasing attention in recent years, yet it remains a difficult…

Computer Vision and Pattern Recognition · Computer Science 2017-12-06 Hui Zeng , Lei Zhang , Alan C. Bovik

The structure of proteins is the basis for studying protein function and drug design. The emergence of AlphaFold 2 has greatly promoted the prediction of protein 3D structures, and it is of great significance to give an overall and accurate…

Biomolecules · Quantitative Biology 2024-07-02 Wenda Wang , Jiaqi Zhai , He Huang , Xinqi Gong

Deep learning has transformed protein design, enabling accurate structure prediction, sequence optimization, and de novo protein generation. Advances in single-chain protein structure prediction via AlphaFold2, RoseTTAFold, ESMFold, and…

Machine Learning · Computer Science 2025-02-27 Gregory W. Kyro , Tianyin Qiu , Victor S. Batista

Deep learning has been widely used for protein engineering. However, it is limited by the lack of sufficient experimental data to train an accurate model for predicting the functional fitness of high-order mutants. Here, we develop SESNet,…

Quantitative Methods · Quantitative Biology 2023-04-10 Mingchen Li , Liqi Kang , Yi Xiong , Yu Guang Wang , Guisheng Fan , Pan Tan , Liang Hong

We present a deep neural network-based approach to image quality assessment (IQA). The network is trained end-to-end and comprises ten convolutional layers and five pooling layers for feature extraction, and two fully connected layers for…

Computer Vision and Pattern Recognition · Computer Science 2017-12-11 Sebastian Bosse , Dominique Maniry , Klaus-Robert Müller , Thomas Wiegand , Wojciech Samek

Proteins are sequences of amino acids that serve as the basic building blocks of living organisms. Despite rapidly growing databases documenting structural and functional information for various protein sequences, our understanding of…

Biomolecules · Quantitative Biology 2025-01-06 Weihang Dai

Motivation: To assess the quality of a protein model, i.e. to estimate how close it is to its native structure, using no other information than the structure of the model has been shown to be useful for structure prediction. The state of…

Biomolecules · Quantitative Biology 2016-02-19 Karolis Uziela , Björn Wallner , Arne Elofsson

Deep learning has deeply influenced protein science, enabling breakthroughs in predicting protein properties, higher-order structures, and molecular interactions. This paper introduces DeepProtein, a comprehensive and user-friendly deep…

Machine Learning · Computer Science 2025-06-17 Jiaqing Xie , Tianfan Fu

Predicting protein complex structures is essential for protein function analysis, protein design, and drug discovery. While AI methods like AlphaFold can predict accurate structural models for many protein complexes, reliably estimating the…

Biomolecules · Quantitative Biology 2025-05-30 Pawan Neupane , Jian Liu , Jianlin Cheng
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