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Related papers: Discovery of Proteomics based on Machine learning

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Here we review the development of protein scaling theory, starting from backgrounds in mathematics and statistical mechanics, and leading to biomedical applications. Evolution has organized each protein family in different ways, but scaling…

Other Quantitative Biology · Quantitative Biology 2016-10-14 J. C. Phillips

Protein folding is a problem of large interest since it concerns the mechanism by which the genetic information is translated into proteins with well defined three-dimensional (3D) structures and functions. Recently theoretical models have…

Biomolecules · Quantitative Biology 2007-05-23 Emidio Capriotti , Rita Casadio

The goal of most materials discovery is to discover materials that are superior to those currently known. Fundamentally, this is close to extrapolation, which is a weak point for most machine learning models that learn the probability…

Biomolecules · Quantitative Biology 2024-05-08 Hyunseung Kim , Haeyeon Choi , Dongju Kang , Won Bo Lee , Jonggeol Na

Predicting the biophysical and functional properties of proteins is essential for in silico protein design. Machine learning has emerged as a promising technique for such prediction tasks. However, the relative scarcity of in vitro…

Machine Learning · Computer Science 2025-07-17 Jacob Beck , Shikha Surana , Manus McAuliffe , Oliver Bent , Thomas D. Barrett , Juan Jose Garau Luis , Paul Duckworth

Existing machine learning methods for molecular (e.g., gene) embeddings are restricted to specific tasks or data modalities, limiting their effectiveness within narrow domains. As a result, they fail to capture the full breadth of gene…

As protein therapeutics play an important role in almost all medical fields, numerous studies have been conducted on proteins using artificial intelligence. Artificial intelligence has enabled data driven predictions without the need for…

Quantitative Methods · Quantitative Biology 2023-03-30 Myeonghun Lee , Kyoungmin Min

Motivation: Proteomic mass spectrometry analysis is becoming routine in clinical diagnostics, for example to monitor cancer biomarkers using blood samples. However, differential proteomics and identification of peaks relevant for class…

Genomics · Quantitative Biology 2015-10-06 Sebastian Gibb , Korbinian Strimmer

Thermostability is an important prerequisite for enzymes employed for industrial applications. Several machine learning based models have thus been formulated for protein classification based on this particular trait. These models have…

Quantitative Methods · Quantitative Biology 2021-03-08 Jithin S. Sunny , Lilly M. Saleena

Essential protein plays a crucial role in the process of cell life. The identification of essential proteins can not only promote the development of drug target technology, but also contribute to the mechanism of biological evolution. There…

Molecular Networks · Quantitative Biology 2020-05-20 Pengli Lu , JingJuan Yu

Representation learning for proteins has primarily focused on the global understanding of protein sequences regardless of their length. However, shorter proteins (known as peptides) take on distinct structures and functions compared to…

Quantitative Methods · Quantitative Biology 2022-11-15 Gil Sadeh , Zichen Wang , Jasleen Grewal , Huzefa Rangwala , Layne Price

Mammography is the most effective and available tool for breast cancer screening. However, the low positive predictive value of breast biopsy resulting from mammogram interpretation leads to approximately 70% unnecessary biopsies with…

Machine Learning · Computer Science 2013-06-04 Sahar A. Mokhtar , Alaa. M. Elsayad

Elucidating exocytosis processes provide insights into cellular neurotransmission mechanisms, and may have potential in neurodegenerative diseases research. Amperometry is an established electrochemical method for the detection of…

Subcellular Processes · Quantitative Biology 2023-02-07 Jeyashree Krishnan , Zeyu Lian , Pieter E. Oomen , Xiulan He , Soodabeh Majdi , Andreas Schuppert , Andrew Ewing

While a large body of research has formally identified apolipoprotein E (APOE) as a major genetic risk marker for Alzheimer disease, accumulating evidence supports the notion that other risk markers may exist. The traditional…

Quantitative Methods · Quantitative Biology 2020-03-13 Ning An , Liuqi Jin , Huitong Ding , Jiaoyun Yang , Jing Yuan

This paper presents an approach to the evaluation and validation of mass spectrometry data for construction of an `early warning' diagnostic procedure. We describe implementation of a designed experiment and place emphasis on the consistent…

Statistics Theory · Mathematics 2007-06-13 Bart J. A. Mertens , M. E. de Noo , R. A. E. M. Tollenaar , A. M. Deelder

Proteins play a pivotal role in biological systems. The use of machine learning algorithms for protein classification can assist and even guide biological experiments, offering crucial insights for biotechnological applications. We…

Quantitative Methods · Quantitative Biology 2024-10-24 Yizheng Wang , Yixiao Zhai , Yijie Ding , Quan Zou

Protein Structure Prediction (PSP) is an unsolved problem in the field of computational biology. The problem of protein structure prediction is about predicting the native conformation of a protein, while its sequence of amino acids is…

Biomolecules · Quantitative Biology 2022-06-06 Hossein Parineh , Nasser Mozayani

Identifying a small molecule from its mass spectrum is the primary open problem in computational metabolomics. This is typically cast as information retrieval: an unknown spectrum is matched against spectra predicted computationally from a…

Machine Learning · Computer Science 2023-01-30 Michael Murphy , Stefanie Jegelka , Ernest Fraenkel , Tobias Kind , David Healey , Thomas Butler

Data mining techniques have been used by researchers for analyzing protein sequences. In protein analysis, especially in protein sequence classification, selection of feature is most important. Popular protein sequence classification…

Databases · Computer Science 2012-11-22 Suprativ Saha , Rituparna Chaki

Enzymes and proteins are live driven biochemicals, which has a dramatic impact over the environment, in which it is active. So, therefore, it is highly looked-for to build such a robust and highly accurate automatic and computational model…

Biomolecules · Quantitative Biology 2021-01-11 Zaheer Ullah Khan , Dechang Pi , Izhar Ahmed Khan , Asif Nawaz , Jamil Ahmad , Mushtaq Hussain

Large-scale proteomic analysis is emerging as a powerful technique in biology and relies heavily on data acquired by state-of-the-art mass spectrometers. As with any other field in Systems Biology, computational tools are required to deal…

Quantitative Methods · Quantitative Biology 2011-05-02 Fahad Saeed , Trairak Pisitkun , Mark A. Knepper , Jason D. Hoffert