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A new method for determining whether or not a mitrochondrial DNA (mtDNA) sequence belongs to a vertebrate is described and tested. This method only needs the mtDNA sequence of the organism in question, and unlike alignment based methods, it…

Genomics · Quantitative Biology 2010-01-05 Nikesh S. Dattani

The quality and ease of proteomics analysis depends on the performance of the analytical tools used, and thus of the performances of the protein separation tools used to deconvolute complex protein samples. Among protein samples, membrane…

Genomics · Quantitative Biology 2008-12-31 Thierry Rabilloud , Mireille Chevallet , Sylvie Luche , Cécile Lelong

Two-dimensional electrophoresis is still a very valuable tool in proteomics, due to its reproducibility and its ability to analyze complete proteins. However, due to its sensitivity to dynamic range issues, its most suitable use in the…

Genomics · Quantitative Biology 2013-09-11 Thierry Rabilloud , Sarah Triboulet

A phenomenological model hamiltonian to describe the folding of a protein with any given sequence is proposed. The protein is thought of as a collection of pieces of helices; as a consequence its configuration space increases with the…

Soft Condensed Matter · Physics 2009-10-30 Pierpaolo Bruscolini

In a shotgun proteomics experiment, proteins are the most biologically meaningful output. The success of proteomics studies depends on the ability to accurately and efficiently identify proteins. Many methods have been proposed to…

Quantitative Methods · Quantitative Biology 2012-11-30 Chao Yang , Zengyou He , Weichuan Yu

Studying the function of proteins is important for understanding the molecular mechanisms of life. The number of publicly available protein structures has increasingly become extremely large. Still, the determination of the function of a…

Machine Learning · Computer Science 2018-03-02 Wajdi Dhifli , Abdoulaye Baniré Diallo

Proteins are essential biological macromolecules that execute life functions. Local structural motifs, such as active sites, are the most critical components for linking structure to function and are key to understanding protein evolution…

Quantitative Methods · Quantitative Biology 2026-04-10 Zhiyu Wang , Bingxin Zhou , Jing Wang , Yang Tan , Weishu Zhao , Pietro Liò , Liang Hong

Determining the structure of a protein has been a decades-long open question. A protein's three-dimensional structure often poses nontrivial computation costs, when classical simulation algorithms are utilized. Advances in the transformer…

Machine Learning · Computer Science 2023-10-09 Chen Dun , Qiutai Pan , Shikai Jin , Ria Stevens , Mitchell D. Miller , George N. Phillips, , Anastasios Kyrillidis

Protein inference plays a vital role in the proteomics study. Two major approaches could be used to handle the problem of protein inference; top-down and bottom-up. This paper presents a framework for protein inference, which uses hardware…

Computational Engineering, Finance, and Science · Computer Science 2014-03-07 S. M. Vidanagamachchi , S. D. Dewasurendra , R. G. Ragel

The draft sequence of the human genome became available almost a decade ago but the encoded proteome is not being explored to its fullest. Our bibliometric analysis of several large protein families, including those known to be "druggable",…

Other Quantitative Biology · Quantitative Biology 2011-02-14 Ruth Isserlin , Gary D. Bader , Aled Edwards , Stephen Frye , Timothy Willson , Frank H. Yu

Intrinsically disordered proteins and regions are increasingly appreciated for their abundance in the proteome and the many functional roles they play in the cell. In this short review, we describe a variety of approaches used to obtain…

Biological Physics · Physics 2024-12-31 Zi Hao Liu , Maria Tsanai , Oufan Zhang , Teresa Head-Gordon , Julie Forman-Kay

Protein synthesis is one of the most fundamental biological processes, which consumes a significant amount of cellular resources. Despite existence of multiple mathematical models of translation, varying in the level of mechanistical…

Molecular Networks · Quantitative Biology 2021-01-06 Alexander N. Gorban , Annick Harel-Bellan , Nadya Morozova , Andrei Zinovyev

It is becoming clear that traditional, single-structure models of proteins are insufficient for understanding their biological function. Here, we outline one method for inferring, from experiments, not only the most common structure a…

Biological Physics · Physics 2014-08-04 Thomas J. Lane , Christian R. Schwantes , Kyle A. Beauchamp , Vijay S. Pande

A method based on mapping a symbolic sequence into a set of patterns (strings resulting from the sequence parsing) is proposed as a tool for the reconstruction of ancestral sequences. The set union of patterns comprises all the patterns…

Genomics · Quantitative Biology 2015-04-16 Bohdan Kozarzewski

We develop ProtComposer to generate protein structures conditioned on spatial protein layouts that are specified via a set of 3D ellipsoids capturing substructure shapes and semantics. At inference time, we condition on ellipsoids that are…

Biomolecules · Quantitative Biology 2025-03-10 Hannes Stark , Bowen Jing , Tomas Geffner , Jason Yim , Tommi Jaakkola , Arash Vahdat , Karsten Kreis

Protein structure prediction is a challenging and unsolved problem in computer science. Proteins are the sequence of amino acids connected together by single peptide bond. The combinations of the twenty primary amino acids are the…

Computational Engineering, Finance, and Science · Computer Science 2015-10-12 Mahmood A. Rashid , Firas Khatib , Abdul Sattar

The identification of metabolites from complex biological samples often involves matching experimental mass spectrometry data to signatures of compounds derived from massive chemical databases. However, misidentifications may result due to…

Quantitative Methods · Quantitative Biology 2023-07-11 Christine H. Chang , Bryan J. Killinger , Ryan S. Renslow , Sean M. Colby

Parsing human body into semantic regions is crucial to human-centric analysis. In this paper, we propose a segment-based parsing pipeline that explores human pose information, i.e. the joint location of a human model, which improves the…

Computer Vision and Pattern Recognition · Computer Science 2015-11-26 Fangting Xia , Jun Zhu , Peng Wang , Alan Yuille

In the post-genome era, biologists have sought to measure the complete complement of proteins, termed proteomics. Currently, the most effective method to measure the proteome is with shotgun, or bottom-up, proteomics, in which the proteome…

Genomics · Quantitative Biology 2018-11-30 Jesse G. Meyer

Achieving a comprehensive understanding of the behaviour of proteins is greatly facilitated by the knowledge of their structures, thermodynamics and dynamics. All this information can be provided in an effective manner in terms of…

Quantitative Methods · Quantitative Biology 2019-03-27 Massimiliano Bonomi , Michele Vendruscolo