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Related papers: On subset seeds for protein alignment

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Spaced seeds have been recently shown to not only detect more alignments, but also to give a more accurate measure of phylogenetic distances (Boden et al., 2013, Horwege et al., 2014, Leimeister et al., 2014), and to provide a lower…

Quantitative Methods · Quantitative Biology 2014-12-09 Laurent Noé , Donald E. K. Martin

Sequence set is a widely-used type of data source in a large variety of fields. A typical example is protein structure prediction, which takes an multiple sequence alignment (MSA) as input and aims to infer structural information from it.…

Biomolecules · Quantitative Biology 2019-06-27 Fusong Ju , Jianwei Zhu , Guozheng Wei , Qi Zhang , Shiwei Sun , Dongbo Bu

The success of kernel-based learning methods depend on the choice of kernel. Recently, kernel learning methods have been proposed that use data to select the most appropriate kernel, usually by combining a set of base kernels. We introduce…

Machine Learning · Computer Science 2011-12-21 Arash Afkanpour , Csaba Szepesvari , Michael Bowling

There is a growing interest in designing Graph Neural Networks (GNNs) for seeded graph matching, which aims to match two unlabeled graphs using only topological information and a small set of seed nodes. However, most previous GNNs for this…

Machine Learning · Computer Science 2023-07-11 Liren Yu , Jiaming Xu , Xiaojun Lin

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

Several algorithms for similarity search employ seeding techniques to quickly discard very dissimilar regions. In this paper, we study theoretical properties of lossless seeds, i.e., spaced seeds having full sensitivity. We prove that…

Discrete Mathematics · Computer Science 2014-05-23 Karel Břinda

Motivation Protein fold recognition is an important problem in structural bioinformatics. Almost all traditional fold recognition methods use sequence (homology) comparison to indirectly predict the fold of a tar get protein based on the…

Machine Learning · Computer Science 2017-06-06 Jie Hou , Badri Adhikari , Jianlin Cheng

Combating bias in NLP requires bias measurement. Bias measurement is almost always achieved by using lexicons of seed terms, i.e. sets of words specifying stereotypes or dimensions of interest. This reproducibility study focuses on the…

Computation and Language · Computer Science 2022-06-07 Jille van der Togt , Lea Tiyavorabun , Matteo Rosati , Giulio Starace

Deep learning has been widely used for protein engineering. However, it is limited by the lack of sufficient experimental data to train an accurate model for predicting the functional fitness of high-order mutants. Here, we develop SESNet,…

Quantitative Methods · Quantitative Biology 2023-04-10 Mingchen Li , Liqi Kang , Yi Xiong , Yu Guang Wang , Guisheng Fan , Pan Tan , Liang Hong

A novel approach for structure alignment is presented, where the key ingredients are: (1) An error function formulation of the problem simultaneously in terms of binary (Potts) assignment variables and real-valued atomic coordinates. (2)…

Biological Physics · Physics 2007-05-23 M. Ohlsson , C. Peterson , M. Ringner , R. Blankenbecler

The protein design problem involves finding polypeptide sequences folding into a given threedimensional structure. Its rigorous algorithmic solution is computationally demanding, involving a nested search in sequence and structure spaces.…

Quantum Physics · Physics 2024-07-11 Veronica Panizza , Philipp Hauke , Cristian Micheletti , Pietro Faccioli

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

Many algorithms for sequence analysis rely on word matching or word statistics. Often, these approaches can be improved if binary patterns representing match and don't-care positions are used as a filter, such that only those positions of…

Genomics · Quantitative Biology 2017-02-08 Lars Hahn , Chris-André Leimeister , Rachid Ounit , Stefano Lonardi , Burkhard Morgenstern

Generative deep learning techniques have demonstrated an impressive capacity for tackling biomolecular design problems in recent years. Despite their high performance, however, they still suffer from a lack of interpretability and rigorous…

Machine Learning · Computer Science 2026-04-06 Jyler Menard , R. A. Mansbach

Future upgrades to the LHC will pose considerable challenges for traditional particle track reconstruction methods. We investigate how artificial Neural Networks and Deep Learning could be used to complement existing algorithms to increase…

Instrumentation and Detectors · Physics 2019-10-16 Felix Dietrich

In this work we present a system based on a Deep Learning approach, by using a Convolutional Neural Network, capable of classifying protein chains of amino acids based on the protein description contained in the Protein Data Bank. Each…

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

Weakly-supervised text classification aims to induce text classifiers from only a few user-provided seed words. The vast majority of previous work assumes high-quality seed words are given. However, the expert-annotated seed words are…

Computation and Language · Computer Science 2021-04-21 Yiping Jin , Akshay Bhatia , Dittaya Wanvarie

Many modern applications produce massive amounts of data series that need to be analyzed, requiring efficient similarity search operations. However, the state-of-the-art data series indexes that are used for this purpose do not scale well…

Databases · Computer Science 2020-06-25 Haridimos Kondylakis , Niv Dayan , Kostas Zoumpatianos , Themis Palpanas

Modern pattern recognition tasks use complex algorithms that take advantage of large datasets to make more accurate predictions than traditional algorithms such as decision trees or k-nearest-neighbor better suited to describe simple…

Machine Learning · Statistics 2021-10-14 AGaurav Arwade , Sigurdur Olafsson

The structure of a protein is crucial in determining its functionality, and is much more conserved than sequence during evolution. A key task in structural biology is to compare protein structures in order to determine evolutionary…

Methodology · Statistics 2019-11-06 Christopher Fallaize , Peter Green , Kanti Mardia , Stuart Barber