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Several processes in the cell, such as gene regulation, start when key proteins recognise and bind to short DNA sequences. However, as these sequences can be hundreds of million times shorter than the genome, they are hard to find by simple…

Subcellular Processes · Quantitative Biology 2021-01-27 Markus Nyberg , Tobias Ambjörnsson , Per Stenberg , and Ludvig Lizana

Genotype-to-phenotype mappings translate genotypic variations such as mutations into phenotypic changes. Neutrality is the observation that some mutations do not lead to phenotypic changes. Studying the search trajectories in genotypic and…

Populations and Evolution · Quantitative Biology 2023-06-26 Ting Hu , Gabriela Ochoa , Wolfgang Banzhaf

This article introduces a novel protein structure alignment method (named TALI) based on the protein backbone torsion angle instead of the more traditional distance matrix. Because the structural alignment of the two proteins is based on…

Biomolecules · Quantitative Biology 2020-12-15 Xijiang Miao , Michael G. Bryson , Homayoun Valafar

The advent of digital pathology presents opportunities for computer vision for fast, accurate, and objective solutions for histopathological images and aid in knowledge discovery. This work uses deep learning to predict genomic biomarkers -…

Computer Vision and Pattern Recognition · Computer Science 2021-03-16 Ruchi Chauhan , PK Vinod , CV Jawahar

Protein interactions are important in a broad range of biological processes. Traditionally, computational methods have been developed to automatically predict protein interface from hand-crafted features. Recent approaches employ deep…

Machine Learning · Computer Science 2020-07-21 Yi Liu , Hao Yuan , Lei Cai , Shuiwang Ji

Protein retrieval, which targets the deconstruction of the relationship between sequences, structures and functions, empowers the advancing of biology. Basic Local Alignment Search Tool (BLAST), a sequence-similarity-based algorithm, has…

Information Retrieval · Computer Science 2025-01-06 Yuxuan Wu , Xiao Yi , Yang Tan , Huiqun Yu , Guisheng Fan , Gaowei Zheng

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

Energy evaluation using fast Fourier transforms enables sampling billions of putative complex structures and hence revolutionized rigid protein-protein docking. However, in current methods efficient acceleration is achieved only in either…

Problems of search and recognition appear over different scales in biological systems. In this review we focus on the challenges posed by interactions between proteins, in particular transcription factors, and DNA and possible mechanisms…

Biomolecules · Quantitative Biology 2015-03-19 M. Sheinman , O. Bénichou , Y. Kafri , R. Voituriez

Stratified digraphs are popular models for feedforward neural networks. However, computation of their path homologies has been limited to low dimensions due to high computational complexity. A recursive algorithm is proposed to compute…

Computational Geometry · Computer Science 2024-12-12 Zhengtong Zhu , Zhiyi Chi

Proteins, essential to biological systems, perform functions intricately linked to their three-dimensional structures. Understanding the relationship between protein structures and their amino acid sequences remains a core challenge in…

Quantitative Methods · Quantitative Biology 2024-11-04 Liang He , Peiran Jin , Yaosen Min , Shufang Xie , Lijun Wu , Tao Qin , Xiaozhuan Liang , Kaiyuan Gao , Yuliang Jiang , Tie-Yan Liu

Protein evolution involves mutations occurring across a wide range of time scales. In analogy with disordered systems in statistical physics, this dynamical heterogeneity suggests strong correlations between mutations happening at distinct…

Biomolecules · Quantitative Biology 2025-07-15 Saverio Rossi , Leonardo Di Bari , Martin Weigt , Francesco Zamponi

Spatial transcriptomics (ST) provides essential spatial context by mapping gene expression within tissue, enabling detailed study of cellular heterogeneity and tissue organization. However, aligning ST data with histology images poses…

Directed evolution is an iterative laboratory process of designing proteins with improved function by iteratively synthesizing new protein variants and evaluating their desired property with expensive and time-consuming biochemical…

Machine Learning · Computer Science 2025-09-08 Matouš Soldát , Jiří Kléma

Stabilizing proteins is a foundational step in protein engineering. However, the evolutionary pressure of all extant proteins makes identifying the scarce number of mutations that will improve thermodynamic stability challenging. Deep…

Biomolecules · Quantitative Biology 2023-11-01 Jeffrey Ouyang-Zhang , Daniel J. Diaz , Adam R. Klivans , Philipp Krähenbühl

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

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

We describe new approaches for distances between pairs of 2-dimensional surfaces (embedded in 3-dimensional space) that use local structures and global information contained in inter-structure geometric relationships. We present algorithms…

Numerical Analysis · Mathematics 2015-05-30 D. Boyer , Y. Lipman , E. St. Clair , J. Puente , T. Funkhouser , B. Patel , J. Jernvall , I. Daubechies

Template matching is a fundamental task in computer vision and has been studied for decades. It plays an essential role in manufacturing industry for estimating the poses of different parts, facilitating downstream tasks such as robotic…

Computer Vision and Pattern Recognition · Computer Science 2024-08-21 Zhirui Gao , Renjiao Yi , Zheng Qin , Yunfan Ye , Chenyang Zhu , Kai Xu

Natural protein sequences somehow encode the structural forms that these molecules adopt. Recent developments in structure-prediction are agnostic to the mechanisms by which proteins fold and represent them as static objects. However, the…

Biomolecules · Quantitative Biology 2025-05-26 Ezequiel A. Galpern , Federico Caamaño , Diego U. Ferreiro
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