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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

Nanobodies are small antibody fragments derived from camelids that selectively bind to antigens. These proteins have marked physicochemical properties that support advanced therapeutics, including treatments for SARS-CoV-2. To realize their…

Quantitative Methods · Quantitative Biology 2021-10-18 Chris McKennan , Zhe Sang , Yi Shi

Motivation: Post-database searching is a key procedure in peptide dentification with tandem mass spectrometry (MS/MS) strategies for refining peptide-spectrum matches (PSMs) generated by database search engines. Although many statistical…

Machine Learning · Statistics 2018-05-09 Xijun Liang , Zhonghang Xia , Yongxiang Wang , Ling Jian , Xinnan Niu , Andrew Link

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…

Proteins perform critical processes in all living systems: converting solar energy into chemical energy, replicating DNA, as the basis of highly performant materials, sensing and much more. While an incredible range of functionality has…

Biomolecules · Quantitative Biology 2021-09-29 Leonardo V. Castorina , Rokas Petrenas , Kartic Subr , Christopher W. Wood

Identifying interacting partners from two sets of protein sequences has important applications in computational biology. Interacting partners share similarities across species due to their common evolutionary history, and feature…

Biomolecules · Quantitative Biology 2024-12-31 Umberto Lupo , Damiano Sgarbossa , Martina Milighetti , Anne-Florence Bitbol

The advent of highly accurate protein structure prediction methods has fueled an exponential expansion of the protein structure database. Consequently, there is a rising demand for rapid and precise structural homolog search. Traditional…

Biomolecules · Quantitative Biology 2023-12-01 Yuan Liu , Hong-Bin Shen

Recent advances in protein language models have catalyzed significant progress in peptide sequence representation. Despite extensive exploration in this field, pre-trained models tailored for peptide-specific needs remain largely…

Machine Learning · Computer Science 2024-01-23 Ruochi Zhang , Haoran Wu , Chang Liu , Huaping Li , Yuqian Wu , Kewei Li , Yifan Wang , Yifan Deng , Jiahui Chen , Fengfeng Zhou , Xin Gao

Statistical Shape Modeling (SSM) effectively analyzes anatomical variations within populations but is limited by the need for manual localization and segmentation, which relies on scarce medical expertise. Recent advances in deep learning…

Computer Vision and Pattern Recognition · Computer Science 2024-07-10 Janmesh Ukey , Tushar Kataria , Shireen Y. Elhabian

Peptide de novo sequencing is a method used to reconstruct amino acid sequences from tandem mass spectrometry data without relying on existing protein sequence databases. Traditional deep learning approaches, such as Casanovo, mainly…

Machine Learning · Computer Science 2025-07-16 Chi-en Amy Tai , Alexander Wong

Substructure search in chemical compound databases is a fundamental task in cheminformatics with critical implications for fields such as drug discovery, materials science, and toxicology. However, the increasing size and complexity of…

Databases · Computer Science 2023-10-04 Vsevolod Vaskin , Dmitri Jakovlev , Fedor Bakharev

In latest years, deep learning has gained a leading role in the pansharpening of multiresolution images. Given the lack of ground truth data, most deep learning-based methods carry out supervised training in a reduced-resolution domain.…

Image and Video Processing · Electrical Eng. & Systems 2023-07-28 Matteo Ciotola , Giovanni Poggi , Giuseppe Scarpa

The Basic Local Alignment Search Tool (BLAST) is currently the most popular method for searching databases of biological sequences. BLAST compares sequences via similarity defined by a weighted edit distance, which results in it being…

Biomolecules · Quantitative Biology 2020-10-29 Amir Shanehsazzadeh , David Belanger , David Dohan

The discovery of novel proteins relies on sensitive protein identification, for which de novo peptide sequencing (DNPS) from mass spectra is a crucial approach. While deep learning has advanced DNPS, existing models inadequately enforce the…

Quantitative Methods · Quantitative Biology 2026-02-25 Shaorong Chen , Jingbo Zhou , Jun Xia

Purpose: Stereo matching methods that enable depth estimation are crucial for visualization enhancement applications in computer-assisted surgery (CAS). Learning-based stereo matching methods are promising to predict accurate results on…

Computer Vision and Pattern Recognition · Computer Science 2023-02-07 Zixin Yang , Richard Simon , Cristian A. Linte

The rapid development of deep learning, a family of machine learning techniques, has spurred much interest in its application to medical imaging problems. Here, we develop a deep learning algorithm that can accurately detect breast cancer…

Computer Vision and Pattern Recognition · Computer Science 2019-10-08 Li Shen , Laurie R. Margolies , Joseph H. Rothstein , Eugene Fluder , Russell B. McBride , Weiva Sieh

Feature subset selection, as a special case of the general subset selection problem, has been the topic of a considerable number of studies due to the growing importance of data-mining applications. In the feature subset selection problem…

Machine Learning · Computer Science 2014-11-13 Tofigh Naghibi , Sarah Hoffmann , Beat Pfister

The goal of Feature Selection - comprising filter, wrapper, and embedded approaches - is to find the optimal feature subset for designated downstream tasks. Nevertheless, current feature selection methods are limited by: 1) the selection…

Machine Learning · Computer Science 2023-09-18 Meng Xiao , Dongjie Wang , Min Wu , Pengfei Wang , Yuanchun Zhou , Yanjie Fu

In this work we set out to find a method to classify protein structures using a Deep Learning methodology. Our Artificial Intelligence has been trained to recognize complex biomolecule structures extrapolated from the Protein Data Bank…

Machine Learning · Computer Science 2021-11-04 Damiano Perri , Marco Simonetti , Andrea Lombardi , Noelia Faginas-Lago , Osvaldo Gervasi

The potential of deep learning has been recognized in the protein structure prediction community for some time, and became indisputable after CASP13. In CASP14, deep learning has boosted the field to unanticipated levels reaching…

Biomolecules · Quantitative Biology 2021-09-14 Elodie Laine , Stephan Eismann , Arne Elofsson , Sergei Grudinin