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The increasing number of protein sequences decoded from genomes is opening up new avenues of research on linking protein sequence to function with transformer neural networks. Recent research has shown that the number of known protein…

Machine Learning · Computer Science 2022-06-23 Anowarul Kabir , Amarda Shehu

Protein structures are important for understanding their functions and interactions. Currently, many protein structure prediction methods are enriching the structure database. Discriminating the origin of structures is crucial for…

Biomolecules · Quantitative Biology 2024-10-24 Wenrui Gou , Wenhui Ge , Yang Tan , Mingchen Li , Guisheng Fan , Huiqun Yu

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and…

Biomolecules · Quantitative Biology 2020-12-17 Mostafa Karimi , Di Wu , Zhangyang Wang , Yang Shen

Deep learning applies multiple processing layers to learn representations of data with multiple levels of feature extraction. This emerging technique has reshaped the research landscape of face recognition (FR) since 2014, launched by the…

Computer Vision and Pattern Recognition · Computer Science 2021-04-06 Mei Wang , Weihong Deng

Motivation: Protein secondary structure prediction can provide important information for protein 3D structure prediction and protein functions. Deep learning, which has been successfully applied to various research fields such as image…

Quantitative Methods · Quantitative Biology 2017-09-20 Chao Fang , Yi Shang , Dong Xu

Deep learning is an advanced technology that relies on large-scale data and complex models for feature extraction and pattern recognition. It has been widely applied across various fields, including computer vision, natural language…

Genomics · Quantitative Biology 2024-12-24 Yindan Luo , Jiaxin Cai

Motivation: Deep learning architectures have recently demonstrated their power in predicting DNA- and RNA-binding specificities. Existing methods fall into three classes: Some are based on Convolutional Neural Networks (CNNs), others use…

Machine Learning · Computer Science 2019-01-31 Ameni Trabelsi , Mohamed Chaabane , Asa Ben Hur

Multimodal approaches that integrate protein structure and sequence have achieved remarkable success in protein-protein interface prediction. However, extending these methods to protein-peptide interactions remains challenging due to the…

Signal Processing · Electrical Eng. & Systems 2025-11-03 Dian Chen , Yunkai Chen , Tong Lin , Sijie Chen , Xiaolin Cheng

Protein representation learning (PRL) is crucial for understanding structure-function relationships, yet current sequence- and graph-based methods fail to capture the hierarchical organization inherent in protein structures. We introduce…

Machine Learning · Computer Science 2025-09-05 Zhiyu Wang , Arian Jamasb , Mustafa Hajij , Alex Morehead , Luke Braithwaite , Pietro Liò

Protein structure tokenization converts 3D structures into discrete or vectorized representations, enabling the integration of structural and sequence data. Despite many recent works on structure tokenization, the properties of the…

Machine Learning · Computer Science 2025-11-14 Zijing Liu , Bin Feng , He Cao , Yu Li

Proteins are essential for life, and their structure determines their function. The protein secondary structure is formed by the folding of the protein primary structure, and the protein tertiary structure is formed by the bending and…

Biomolecules · Quantitative Biology 2024-03-11 Yanlin Zhou , Kai Tan , Xinyu Shen , Zheng He , Haotian Zheng

The impact of Transformer-based language models has been unprecedented in Natural Language Processing (NLP). The success of such models has also led to their adoption in other fields including bioinformatics. Taking this into account, this…

Machine Learning · Computer Science 2025-07-21 Nimisha Ghosh , Daniele Santoni , Debaleena Nawn , Eleonora Ottaviani , Giovanni Felici

Motivation: Thanks to the recent advances in structural biology, nowadays three-dimensional structures of various proteins are solved on a routine basis. A large portion of these contain structural repetitions or internal symmetries. To…

Quantitative Methods · Quantitative Biology 2018-10-30 Guillaume Pagès , Sergei Grudinin

Proteins are fundamental biological entities that play a key role in life activities. The amino acid sequences of proteins can be folded into stable 3D structures in the real physicochemical world, forming a special kind of…

Machine Learning · Computer Science 2023-01-04 Lirong Wu , Yufei Huang , Haitao Lin , Stan Z. Li

In recent years, the rise of deep learning and automation requirements in the software industry has elevated Intelligent Software Engineering to new heights. The number of approaches and applications in code understanding is growing, with…

Software Engineering · Computer Science 2022-05-04 Ruoting Wu , Yuxin Zhang , Qibiao Peng , Liang Chen , Zibin Zheng

Predicting protein structure from the amino acid sequence has been a challenge with theoretical and practical significance in biophysics. Despite the recent progresses elicited by improved residue-residue contact prediction, contact-based…

Biomolecules · Quantitative Biology 2019-12-19 Wenze Ding , Haipeng Gong

Understanding the relationships between protein sequence, structure and function is a long-standing biological challenge with manifold implications from drug design to our understanding of evolution. Recently, protein language models have…

Quantitative Methods · Quantitative Biology 2024-01-29 Dexiong Chen , Philip Hartout , Paolo Pellizzoni , Carlos Oliver , Karsten Borgwardt

Predicting protein properties such as solvent accessibility and secondary structure from its primary amino acid sequence is an important task in bioinformatics. Recently, a few deep learning models have surpassed the traditional window…

Machine Learning · Computer Science 2016-05-11 Zeming Lin , Jack Lanchantin , Yanjun Qi

Machine learning and the use of neural networks has increased precipitously over the past few years primarily due to the ever-increasing accessibility to data and the growth of computation power. It has become increasingly easy to harness…

Machine Learning · Computer Science 2020-08-05 Aaron Hein , Casey Cole , Homayoun Valafar

The idea of this project is to study the protein structure and sequence relationship using the hidden markov model and artificial neural network. In this context we have assumed two hidden markov models. In first model we have taken protein…

Machine Learning · Computer Science 2012-06-18 Saurabh Sarkar , Prateek Malhotra , Virender Guman
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