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The inverse Potts problem for estimating evolutionary single-site fields and pairwise couplings in homologous protein sequences from their single-site and pairwise amino acid frequencies observed in their multiple sequence alignment would…

Biomolecules · Quantitative Biology 2026-04-21 Sanzo Miyazawa

Explainable and interpretable unsupervised machine learning helps understand the underlying structure of data. We introduce an ensemble analysis of machine learning models to consolidate their interpretation. Its application shows that…

Biomolecules · Quantitative Biology 2024-01-17 Anna Braghetto , Enzo Orlandini , Marco Baiesi

Approximations based on rational functions are widely used in various applications across computational science and engineering. For univariate functions, the adaptive Antoulas-Anderson algorithm (AAA), which uses the barycentric form of a…

Numerical Analysis · Mathematics 2025-02-06 Linus Balicki , Serkan Gugercin

An important task in early phase drug development is to identify patients, which respond better or worse to an experimental treatment. While a variety of different subgroup identification methods have been developed for the situation of…

Methodology · Statistics 2020-01-22 Marius Thomas , Björn Bornkamp , Heidi Seibold

In this article we consider Bayesian parameter inference associated to partially-observed stochastic processes that start from a set B0 and are stopped or killed at the first hitting time of a known set A. Such processes occur naturally…

Computation · Statistics 2012-01-19 Ajay Jasra , Nikolas Kantas

Background In proteomics, the most probable localizations of post-translational modifications are assessed by localization scores evaluating the likelihood of a given modification to occupy a site on a peptide sequence. When identifying…

Quantitative Methods · Quantitative Biology 2025-05-26 Dafni Skiadopoulou , Lukas Käll , Harald Barsnes , Veit Schwämmle , Marc Vaudel

Advances in bio-technology have made available massive amounts of functional, structural and genomic data for many biological sequences. This increased availability of heterogeneous biological data has resulted in biological applications…

Computational Engineering, Finance, and Science · Computer Science 2013-02-26 Srikrishnan Divakaran , Arpit Mithal , Namit Jain

We propose a general method for predicting potentially good folders from a given number of amino acid sequences. Our approach is based on the calculation of the rate of convergence of each amino acid chain towards the native structure using…

Biological Physics · Physics 2013-02-07 Dmitry K. Gridnev , Pedro Ojeda-May , Martin E. Garcia

Statistical coupling analysis (SCA) is a method for analyzing multiple sequence alignments that was used to identify groups of coevolving residues termed "sectors". The method applies spectral analysis to a matrix obtained by combining…

Biomolecules · Quantitative Biology 2015-06-19 Tiberiu Tesileanu , Lucy J. Colwell , Stanislas Leibler

Accurate segmentation of myocardial lesions from multi-sequence cardiac magnetic resonance imaging is essential for cardiac disease diagnosis and treatment planning. However, achieving optimal feature correspondence is challenging due to…

Image and Video Processing · Electrical Eng. & Systems 2025-07-17 Yifan Gao , Shaohao Rui , Haoyang Su , Jinyi Xiang , Lianming Wu , Xiaosong Wang

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

In the course of evolution, proteins show a remarkable conservation of their three-dimensional structure and their biological function, leading to strong evolutionary constraints on the sequence variability between homologous proteins. Our…

Quantitative Methods · Quantitative Biology 2014-04-07 Carlo Baldassi , Marco Zamparo , Christoph Feinauer , Andrea Procaccini , Riccardo Zecchina , Martin Weigt , Andrea Pagnani

We present a novel technique of sampling the configurations of helical proteins. Assuming knowledge of native secondary structure, we employ assembly rules gathered from a database of existing structures to enumerate the geometrically…

Soft Condensed Matter · Physics 2009-09-25 Boris Fain , Michael Levitt

The distribution of amino acid along the protein sequences plays an imperative role in facilitating different biological functions. Currently, there is insufficient scientific data, which represents the arrangement of amino acid in the…

Other Quantitative Biology · Quantitative Biology 2011-12-30 Baby Jerald A. , T. R. Gopalakrishnan Nair

A novel algorithm is proposed for segmenting an image into multiple levels using its mean and variance. Starting from the extreme pixel values at both ends of the histogram plot, the algorithm is applied recursively on sub-ranges computed…

Computer Vision and Pattern Recognition · Computer Science 2007-05-23 Siddharth Arora , Jayadev Acharya , Amit Verma , Prasanta K. Panigrahi

Though quite challenging, leveraging large-scale unlabeled or partially labeled images in a cost-effective way has increasingly attracted interests for its great importance to computer vision. To tackle this problem, many Active Learning…

Computer Vision and Pattern Recognition · Computer Science 2018-05-25 Keze Wang , Xiaopeng Yan , Dongyu Zhang , Lei Zhang , Liang Lin

Under the impact of global climate changes and human activities, harmful algae blooms in surface waters have become a growing concern due to negative impacts on water related industries. Therefore, reliable and cost effective methods of…

Computer Vision and Pattern Recognition · Computer Science 2018-10-26 Jason L. Deglint , Chao Jin , Alexander Wong

This work reports a new methodology aimed at describing characteristics of protein structural shapes, and suggests a framework in which to resolve or classify automatically such structures into known families. This new approach to protein…

Quantitative Methods · Quantitative Biology 2007-05-23 Marconi Soares Barbosa , Rinaldo Wander Montalvao , Tom Blundell , Luciano da Fontoura Costa

An all-atom model of proteins is used to show that the same sequence of amino acids can have many alternative structures, that are very distant from, and that can be as stable as, the corresponding native structure. Such alternative…

Biological Physics · Physics 2008-02-11 Leonor Cruzeiro

We apply the concept of subset seeds proposed in [1] to similarity search in protein sequences. The main question studied is the design of efficient seed alphabets to construct seeds with optimal sensitivity/selectivity trade-offs. We…

Quantitative Methods · Quantitative Biology 2011-01-18 Mikhail A. Roytberg , Anna Gambin , Laurent Noé , Slawomir Lasota , Eugenia Furletova , Ewa Szczurek , Gregory Kucherov
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