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Post-translational modifications (PTMs) have key roles in extending the functional diversity of proteins and as a result, regulating diverse cellular processes in prokaryotic and eukaryotic organisms. Phosphorylation modification is a vital…

Quantitative Methods · Quantitative Biology 2022-08-10 Farzaneh Esmaili , Mahdi Pourmirzaei , Shahin Ramazi , Seyedehsamaneh Shojaeilangari , Elham Yavari

Post-translational modifications (PTMs) in proteins occur after the process of translation. PTMs account for many cellular processes such as deoxyribonucleic acid (DNA) repair, cell signaling and cell death. One of the recent PTMs is…

Biomolecules · Quantitative Biology 2022-01-28 Olusola Odeyomi , Gergely Zaruba

Phosphorylation is pivotal in numerous fundamental cellular processes and plays a significant role in the onset and progression of various diseases. The accurate identification of these phosphorylation sites is crucial for unraveling the…

Quantitative Methods · Quantitative Biology 2024-03-27 Ziyang Xu , Haitian Zhong , Bingrui He , Xueying Wang , Tianchi Lu

Protein post-translational modification (PTM) site prediction is a fundamental task in bioinformatics. Several computational methods have been developed to predict PTM sites. However, existing methods ignore the structure information and…

Quantitative Methods · Quantitative Biology 2024-01-19 Zhengyi Li , Menglu Li , Lida Zhu , Wen Zhang

Phosphorylation is a prototypical example of post-translational modifications (PTMs) that dynamically modulate protein func-tion, where dysregulation is often implicated in disease. NMR provides information on the exact location and time…

Post-Translational Modifications (PTMs) are known to play a critical role in the regulation of the protein functions. Their impact on protein structures, and their link to disorder regions have already been spotted on the past decade.…

Quantitative Methods · Quantitative Biology 2019-08-15 Pierrick Craveur , Tarun Narwani , Joseph Rebehmed , Alexandre de Brevern

Post-translational modifications (PTMs) form a combinatorial "code" that regulates protein function, yet deciphering this code - linking modified sites to their catalytic enzymes - remains a central unsolved problem in understanding…

Computational Engineering, Finance, and Science · Computer Science 2025-10-28 Jingjie Zhang , Hanqun Cao , Zijun Gao , Yu Wang , Shaoning Li , Jun Xu , Cheng Tan , Jun Zhu , Chang-Yu Hsieh , Chunbin Gu , Pheng Ann Heng

Post-transductional modifications tune the functions of proteins and regulate the collective dynamics of biochemical networks that determine how cells respond to environmental signals. For example, protein phosphorylation and nitrosylation…

Cell Behavior · Quantitative Biology 2009-11-13 Roberto Chignola , Chiara Dalla Pellegrina , Alessio Del Fabbro , Edoardo Milotti

Protein mutations can have profound effects on biological function, making accurate prediction of property changes critical for drug discovery, protein engineering, and precision medicine. Current approaches rely on fine-tuning…

Machine Learning · Computer Science 2025-10-27 Srivathsan Badrinarayanan , Yue Su , Janghoon Ock , Alan Pham , Sanya Ahuja , Amir Barati Farimani

Understanding how protein mutations affect protein-nucleic acid binding is critical for unraveling disease mechanisms and advancing therapies. Current experimental approaches are laborious, and computational methods remain limited in…

Quantitative Methods · Quantitative Biology 2025-05-30 Xiang Liu , Junjie Wee , Guo-Wei Wei

Posttranslational modifications (PTMs) are an integral component to how cells respond to perturbation. While experimental advances have enabled improved PTM identification capabilities, the same throughput for characterizing how structural…

Biomolecules · Quantitative Biology 2022-11-23 Austin T. Weigle , Jiangyan Feng , Diwakar Shukla

Multisite protein phosphorylation plays a pivotal role in regulating cellular signaling and decision-making processes. In this study, we focus on the mathematical underpinnings and informational aspects of sequential, distributive…

Molecular Networks · Quantitative Biology 2025-07-22 Iman Tavassoly , Adel Mehrpooya , Parsa Mirlohi , Zahra Abbaspourasadollah

In cancer therapeutics, protein-metal binding mechanisms critically govern the pharmacokinetics and targeting efficacy of drugs, thereby fundamentally shaping the rational design of anticancer metallodrugs. While conventional laboratory…

The prediction of protein structures from sequences is an important task for function prediction, drug design, and related biological processes understanding. Recent advances have proved the power of language models (LMs) in processing the…

Quantitative Methods · Quantitative Biology 2022-12-01 Bozhen Hu , Jun Xia , Jiangbin Zheng , Cheng Tan , Yufei Huang , Yongjie Xu , Stan Z. Li

Many aspects of the study of protein folding and dynamics have been affected by the recent advances in machine learning. Methods for the prediction of protein structures from their sequences are now heavily based on machine learning tools.…

Biological Physics · Physics 2019-11-25 Frank Noé , Gianni De Fabritiis , Cecilia Clementi

Post-translational modifications (PTMs) profoundly expand the complexity and functionality of the proteome, regulating protein attributes and interactions that are crucial for biological processes. Accurately predicting PTM sites and their…

Machine Learning · Computer Science 2024-11-05 Cheng Tan , Zhenxiao Cao , Zhangyang Gao , Lirong Wu , Siyuan Li , Yufei Huang , Jun Xia , Bozhen Hu , Stan Z. Li

Dataset Distillation (DD) is a prominent technique that encapsulates knowledge from a large-scale original dataset into a small synthetic dataset for efficient training. Meanwhile, Pre-trained Models (PTMs) function as knowledge…

Computer Vision and Pattern Recognition · Computer Science 2023-10-06 Yao Lu , Xuguang Chen , Yuchen Zhang , Jianyang Gu , Tianle Zhang , Yifan Zhang , Xiaoniu Yang , Qi Xuan , Kai Wang , Yang You

Understanding protein solubility is essential for their functional applications. Computational methods for predicting protein solubility are crucial for reducing experimental costs and enhancing the efficiency and success rates of protein…

Quantitative Methods · Quantitative Biology 2024-07-01 Yang Tan , Jia Zheng , Liang Hong , Bingxin Zhou

Composed of amino acid chains that influence how they fold and thus dictating their function and features, proteins are a class of macromolecules that play a central role in major biological processes and are required for the structure,…

Quantitative Methods · Quantitative Biology 2022-07-15 Aaron Wang

As a core mechanism of epigenetic regulation in eukaryotes, protein post-translational modifications (PTMs) require precise prediction to decipher dynamic life activity networks. To address the limitations of existing deep learning models…

Machine Learning · Computer Science 2025-06-09 Yiyu Lin , Yan Wang , You Zhou , Xinye Ni , Jiahui Wu , Sen Yang
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