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Frameshift mutations in protein-coding DNA sequences produce a drastic change in the resulting protein sequence, which prevents classic protein alignment methods from revealing the proteins' common origin. Moreover, when a large number of…

Quantitative Methods · Quantitative Biology 2011-01-18 Marta L. Gîrdea , Laurent Noé , Gregory Kucherov

The sequences, given by a 7D map have been analysed by means of the methods, widely used to detect chaos in the real world in order to test their sensitivity to chaotic features of a non-linear system determined by comparatively high number…

Chaotic Dynamics · Physics 2015-04-07 Boyan Hristozov Petkov

Recent computational advances in the accurate prediction of protein three-dimensional (3D) structures from amino acid sequences now present a unique opportunity to decipher the interrelationships between proteins. This task entails--but is…

Biomolecules · Quantitative Biology 2020-05-19 Menuka Jaiswal , Saad Saleem , Yonghyeon Kweon , Eli J Draizen , Stella Veretnik , Cameron Mura , Philip E. Bourne

Proteins are fundamental biological entities that play a key role in life activities. The amino acid sequences of proteins can be folded into stable 3D structures in the real physicochemical world, forming a special kind of…

Machine Learning · Computer Science 2023-01-04 Lirong Wu , Yufei Huang , Haitao Lin , Stan Z. Li

In this paper, we consider a possible representation of a DNA sequence in a quaternary tree, in which on can visualize repetitions of subwords. The CGR-tree turns a sequence of letters into a digital search tree (DST), obtained from the…

Probability · Mathematics 2016-08-16 Peggy Cénac , Brigitte Chauvin , Stéphane Ginouillac , Nicolas Pouyanne

The analysis of the three-dimensional structure of proteins is an important topic in molecular biochemistry. Structure plays a critical role in defining the function of proteins and is more strongly conserved than amino acid sequence over…

Applications · Statistics 2015-01-19 Abel Rodriguez , Scott C. Schmidler

This paper proposes a new mathematical approach to characterize native protein structures based on the discrete differential geometry of tetrahedron tiles. In the approach, local structure of proteins is classified into finite types…

Biomolecules · Quantitative Biology 2007-05-23 Naoto Morikawa

Processing information on 3D objects requires methods stable to rigid-body transformations, in particular rotations, of the input data. In image processing tasks, convolutional neural networks achieve this property using…

Quantitative Methods · Quantitative Biology 2021-01-07 Ilia Igashov , Nikita Pavlichenko , Sergei Grudinin

Despite the constant evolution of similarity searching research, it continues to face the same challenges stemming from the complexity of the data, such as the curse of dimensionality and computationally expensive distance functions.…

Information Retrieval · Computer Science 2022-10-06 Jaroslav Oľha , Terézia Slanináková , Martin Gendiar , Matej Antol , Vlastislav Dohnal

The Gene or DNA sequence in every cell does not control genetic properties on its own; Rather, this is done through translation of DNA into protein and subsequent formation of a certain 3D structure. The biological function of a protein is…

Computational Engineering, Finance, and Science · Computer Science 2019-05-30 Leila Khalatbari , Mohammad Reza Kangavari , Saeid Hosseini , Hongzhi Yin , Ngai-Man Cheung

We investigate the large-scale geometry of the DNA-protein complex of chromatin using a generalized optimality principle, which requires that not only should all sub-parts of a natural process be optimal but also the unfolding of higher…

Biomolecules · Quantitative Biology 2024-02-16 Subhash Kak

Protein structural classification (PSC) is a supervised problem of assigning proteins into pre-defined structural (e.g., CATH or SCOPe) classes based on the proteins' sequence or 3D structural features. We recently proposed PSC approaches…

Molecular Networks · Quantitative Biology 2021-05-18 Khalique Newaz , Jacob Piland , Patricia L. Clark , Scott J. Emrich , Jun Li , Tijana Milenkovic

Protein structure representation is an important tool in structural biology. There exists different methods of representing the protein 3D structures and different biologists favor different methods based on the information they require.…

Biomolecules · Quantitative Biology 2016-02-29 Vrunda Sheth , Vicente M. Reyes

Protein representation learning aims to learn informative protein embeddings capable of addressing crucial biological questions, such as protein function prediction. Although sequence-based transformer models have shown promising results by…

Quantitative Methods · Quantitative Biology 2024-10-22 Michail Chatzianastasis , Yang Zhang , George Dasoulas , Michalis Vazirgiannis

Protein-Protein Interactions (PPIs) perform essential roles in biological functions. Although some experimental techniques have been developed to detect PPIs, they suffer from high false positive and high false negative rates. Consequently,…

Quantitative Methods · Quantitative Biology 2017-12-29 Samaneh Aghajanbaglo , Sobhan Moosavi , Maseud Rahgozar , Amir Rahimi

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

Recognition and binding of specific sites on DNA by proteins is central for many cellular functions such as transcription, replication, and recombination. In the process of recognition, a protein rapidly searches for its specific site on a…

Biomolecules · Quantitative Biology 2007-05-23 Michael Slutsky , Leonid A. Mirny

Proteins are miniature machines whose function depends on their three-dimensional (3D) structure. Determining this structure computationally remains an unsolved grand challenge. A major bottleneck involves selecting the most accurate…

Quantitative Methods · Quantitative Biology 2020-11-30 Stephan Eismann , Patricia Suriana , Bowen Jing , Raphael J. L. Townshend , Ron O. Dror

We consider the problem of learning discriminative representations for data in a high-dimensional space with distribution supported on or around multiple low-dimensional linear subspaces. That is, we wish to compute a linear injective map…

Machine Learning · Statistics 2022-10-07 Druv Pai , Michael Psenka , Chih-Yuan Chiu , Manxi Wu , Edgar Dobriban , Yi Ma

Generative modeling has become a central paradigm in protein research, extending machine learning beyond structure prediction toward sequence design, backbone generation, inverse folding, and biomolecular interaction modeling. However, the…

Machine Learning · Computer Science 2026-03-30 Senura Hansaja Wanasekara , Minh-Duong Nguyen , Xiaochen Liu , Nguyen H. Tran , Ken-Tye Yong