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Global coevolutionary models of homologous protein families, as constructed by direct coupling analysis (DCA), have recently gained popularity in particular due to their capacity to accurately predict residue-residue contacts from sequence…

Quantitative Methods · Quantitative Biology 2019-09-23 Matteo Figliuzzi , Pierre Barrat-Charlaix , Martin Weigt

Proteins have evolved to perform diverse cellular functions, from serving as reaction catalysts to coordinating cellular propagation and development. Frequently, proteins do not exert their full potential as monomers but rather undergo…

Biomolecules · Quantitative Biology 2019-10-07 Guido Uguzzoni , Shalini John Lovis , Francesco Oteri , Alexander Schug , Hendrik Szurmant , Martin Weigt

Determining which proteins interact together is crucial to a systems-level understanding of the cell. Recently, algorithms based on Direct Coupling Analysis (DCA) pairwise maximum-entropy models have allowed to identify interaction partners…

Biomolecules · Quantitative Biology 2020-03-25 Guillaume Marmier , Martin Weigt , Anne-Florence Bitbol

Many non-coding RNAs are known to play a role in the cell directly linked to their structure. Structure prediction based on the sole sequence is however a challenging task. On the other hand, thanks to the low cost of sequencing…

Quantitative Methods · Quantitative Biology 2020-05-05 Francesca Cuturello , Guido Tiana , Giovanni Bussi

Understanding protein-protein interactions is central to our understanding of almost all complex biological processes. Computational tools exploiting rapidly growing genomic databases to characterize protein-protein interactions are…

Quantitative Methods · Quantitative Biology 2016-10-28 Thomas Gueudré , Carlo Baldassi , Marco Zamparo , Martin Weigt , Andrea Pagnani

Various approaches have explored the covariation of residues in multiple-sequence alignments of homologous proteins to extract functional and structural information. Among those are principal component analysis (PCA), which identifies the…

Biomolecules · Quantitative Biology 2013-08-28 Simona Cocco , Remi Monasson , Martin Weigt

Despite the biological importance of non-coding RNA, their structural characterization remains challenging. Making use of the rapidly growing sequence databases, we analyze nucleotide coevolution across homologous sequences via…

Biomolecules · Quantitative Biology 2015-10-13 Eleonora De Leonardis , Benjamin Lutz , Sebastian Ratz , Simona Cocco , Remi Monasson , Alexander Schug , Martin Weigt

Direct Coupling Analysis (DCA) is a now widely used method to leverage statistical information from many similar biological systems to draw meaningful conclusions on each system separately. DCA has been applied with great success to…

Populations and Evolution · Quantitative Biology 2018-08-13 Chen-Yi Gao , Fabio Cecconi , Angelo Vulpiani , Hai-Jun Zhou , Erik Aurell

The analysis of correlations of amino acid occurrences in globular proteins has led to the development of statistical tools that can identify native contacts -- portions of the chains that come to close distance in folded structural…

Biomolecules · Quantitative Biology 2014-07-28 Rocío Espada , R. Gonzalo Parra , Thierry Mora , Aleksandra M. Walczak , Diego Ferreiro

Spatially proximate amino acids in a protein tend to coevolve. A protein's three-dimensional (3D) structure hence leaves an echo of correlations in the evolutionary record. Reverse engineering 3D structures from such correlations is an open…

Quantitative Methods · Quantitative Biology 2013-01-15 Magnus Ekeberg , Cecilia Lövkvist , Yueheng Lan , Martin Weigt , Erik Aurell

Predicting three dimensional residue-residue contacts from evolutionary information in protein sequences was attempted already in the early 1990s. However, contact prediction accuracies of methods evaluated in CASP experiments before CASP11…

Biomolecules · Quantitative Biology 2018-10-16 Sanzo Miyazawa

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

Inferring protein-protein interactions from sequences is an important task in computational biology. Recent methods based on Direct Coupling Analysis (DCA) or Mutual Information (MI) allow to find interaction partners among paralogs of two…

Biomolecules · Quantitative Biology 2022-05-19 Andonis Gerardos , Nicola Dietler , Anne-Florence Bitbol

It is acknowledged that co-evolutionary nucleotide-nucleotide interactions are essential for RNA structures and functions. Currently, direct coupling analysis (DCA) infers nucleotide contacts in a sequence from its homologous sequence…

Biomolecules · Quantitative Biology 2017-11-30 Yiren Jian , Chen Zeng , Yunjie Zhao

Residue-residue interactions that fold a protein into a unique three-dimensional structure and make it play a specific function impose structural and functional constraints on each residue site. Selective constraints on residue sites are…

Biomolecules · Quantitative Biology 2013-01-18 Sanzo Miyazawa

Protein contacts contain important information for protein structure and functional study, but contact prediction from sequence information remains very challenging. Recently evolutionary coupling (EC) analysis, which predicts contacts by…

Quantitative Methods · Quantitative Biology 2015-12-01 Siqi Sun , Jianzhu Ma , Sheng Wang , Jinbo Xu

Sequences of nucleotides (for DNA and RNA) or amino acids (for proteins) are central objects in biology. Among the most important computational problems is that of sequence alignment, i.e. arranging sequences from different organisms in…

Quantitative Methods · Quantitative Biology 2020-12-08 Anna Paola Muntoni , Andrea Pagnani , Martin Weigt , Francesco Zamponi

Direct-Coupling Analysis is a group of methods to harvest information about coevolving residues in a protein family by learning a generative model in an exponential family from data. In protein families of realistic size, this learning can…

Quantitative Methods · Quantitative Biology 2014-09-16 Magnus Ekeberg , Tuomo Hartonen , Erik Aurell

Identifying protein-protein interactions is crucial for a systems-level understanding of the cell. Recently, algorithms based on inverse statistical physics, e.g. Direct Coupling Analysis (DCA), have allowed to use evolutionarily related…

Biomolecules · Quantitative Biology 2020-03-25 Carlos A. Gandarilla-Pérez , Pierre Mergny , Martin Weigt , Anne-Florence Bitbol

Protein-protein interactions are fundamental to many biological processes. Experimental screens have identified tens of thousands of interactions and structural biology has provided detailed functional insight for select 3D protein…

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