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Related papers: Structure-Informed Protein Language Model

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Motivation: Profile hidden Markov Models (pHMMs) are a popular and very useful tool in the detection of the remote homologue protein families. Unfortunately, their performance is not always satisfactory when proteins are in the 'twilight…

Artificial Intelligence · Computer Science 2008-12-11 Juliana S Bernardes , Alberto Davila , Vitor Santos Costa , Gerson Zaverucha

Tokenization is a promising path to multi-modal models capable of jointly understanding protein sequences, structure, and function. Existing protein structure tokenizers create tokens by pooling information from local neighborhoods, an…

Machine Learning · Computer Science 2026-02-09 Rohit Dilip , Ayush Varshney , David Van Valen

Inferring topological and geometrical information from data can offer an alternative perspective on machine learning problems. Methods from topological data analysis, e.g., persistent homology, enable us to obtain such information,…

Computer Vision and Pattern Recognition · Computer Science 2018-02-19 Christoph Hofer , Roland Kwitt , Marc Niethammer , Andreas Uhl

Predicting protein function from sequence is a central challenge in computational biology. While existing methods rely heavily on structured ontologies or similarity-based techniques, they often lack the flexibility to express…

Computational Engineering, Finance, and Science · Computer Science 2025-10-27 Xiao Fei , Michail Chatzianastasis , Sarah Almeida Carneiro , Hadi Abdine , Lawrence P. Petalidis , Michalis Vazirgiannis

Classification of proteins based on their structure provides a valuable resource for studying protein structure, function and evolutionary relationships. With the rapidly increasing number of known protein structures, manual and…

Computational Engineering, Finance, and Science · Computer Science 2009-07-14 Oktie Hassanzadeh

Proteins perform much of the work in living organisms, and consequently the development of efficient computational methods for protein representation is essential for advancing large-scale biological research. Most current approaches…

Quantitative Methods · Quantitative Biology 2023-06-09 Francesco Ceccarelli , Lorenzo Giusti , Sean B. Holden , Pietro Liò

Large language models (LLMs) are becoming attractive as few-shot reasoners to solve Natural Language (NL)-related tasks. However, the understanding of their capability to process structured data like tables remains an under-explored area.…

Computation and Language · Computer Science 2024-07-18 Yuan Sui , Mengyu Zhou , Mingjie Zhou , Shi Han , Dongmei Zhang

We are now witnessing significant progress of deep learning methods in a variety of tasks (or datasets) of proteins. However, there is a lack of a standard benchmark to evaluate the performance of different methods, which hinders the…

Machine Learning · Computer Science 2022-09-20 Minghao Xu , Zuobai Zhang , Jiarui Lu , Zhaocheng Zhu , Yangtian Zhang , Chang Ma , Runcheng Liu , Jian Tang

Studying the function of proteins is important for understanding the molecular mechanisms of life. The number of publicly available protein structures has increasingly become extremely large. Still, the determination of the function of a…

Machine Learning · Computer Science 2018-03-02 Wajdi Dhifli , Abdoulaye Baniré Diallo

Protein retrieval, which targets the deconstruction of the relationship between sequences, structures and functions, empowers the advancing of biology. Basic Local Alignment Search Tool (BLAST), a sequence-similarity-based algorithm, has…

Information Retrieval · Computer Science 2025-01-06 Yuxuan Wu , Xiao Yi , Yang Tan , Huiqun Yu , Guisheng Fan , Gaowei Zheng

When we speak, write or listen, we continuously make predictions based on our knowledge of a language's grammar. Remarkably, children acquire this grammatical knowledge within just a few years, enabling them to understand and generalise to…

Computation and Language · Computer Science 2024-11-26 Jaap Jumelet

Protein-protein interactions (PPIs) are fundamental to numerous cellular processes, and their characterization is vital for understanding disease mechanisms and guiding drug discovery. While protein language models (PLMs) have demonstrated…

Pre-training language models (LMs) on large-scale unlabeled text data makes the model much easier to achieve exceptional downstream performance than their counterparts directly trained on the downstream tasks. In this work, we study what…

Computation and Language · Computer Science 2022-02-21 Cheng-Han Chiang , Hung-yi Lee

In this study, we present a method of pattern mining based on network theory that enables the identification of protein structures or complexes from synthetic volume densities, without the knowledge of predefined templates or human biases…

Quantitative Methods · Quantitative Biology 2022-10-18 August George , Doo Nam Kim , Trevor Moser , Ian T. Gildea , James E. Evans , Margaret S. Cheung

The tracking-by-detection framework requires a set of positive and negative training samples to learn robust tracking models for precise localization of target objects. However, existing tracking models mostly treat different samples…

Computer Vision and Pattern Recognition · Computer Science 2018-11-28 Xiao Wang , Chenglong Li , Rui Yang , Tianzhu Zhang , Jin Tang , Bin Luo

Enzyme engineering enables the modification of wild-type proteins to meet industrial and research demands by enhancing catalytic activity, stability, binding affinities, and other properties. The emergence of deep learning methods for…

Computation and Language · Computer Science 2024-10-29 Yang Tan , Ruilin Wang , Banghao Wu , Liang Hong , Bingxin Zhou

Protein structure prediction has been a grand challenge for over 50 years, owing to its broad scientific and application interests. There are two primary types of modeling algorithms, template-free modeling and template-based modeling. The…

Biological Physics · Physics 2021-06-01 Liangzhen Zheng , Haidong Lan , Tao Shen , Jiaxiang Wu , Sheng Wang , Wei Liu , Junzhou Huang

Proteins are the basic building blocks of life. They usually perform functions by folding to a particular structure. Understanding the folding process could help the researchers to understand the functions of proteins and could also help to…

Computational Engineering, Finance, and Science · Computer Science 2015-10-21 Jianzhu Ma

We introduce a protein language model for determining the complete sequence of a peptide based on measurement of a limited set of amino acids. To date, protein sequencing relies on mass spectrometry, with some novel edman degregation based…

Machine-learning models that learn from data to predict how protein sequence encodes function are emerging as a useful protein engineering tool. However, when using these models to suggest new protein designs, one must deal with the vast…

Quantitative Methods · Quantitative Biology 2021-07-07 Brian L. Hie , Kevin K. Yang