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The similarity in the three-dimensional structures of homologous proteins imposes strong constraints on their sequence variability. It has long been suggested that the resulting correlations among amino acid compositions at different…

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…

定量方法 · 定量生物学 2019-09-23 Matteo Figliuzzi , Pierre Barrat-Charlaix , 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…

生物大分子 · 定量生物学 2020-03-25 Guillaume Marmier , Martin Weigt , Anne-Florence Bitbol

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…

定量方法 · 定量生物学 2016-10-28 Thomas Gueudré , Carlo Baldassi , Marco Zamparo , Martin Weigt , Andrea Pagnani

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…

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…

定量方法 · 定量生物学 2020-05-05 Francesca Cuturello , Guido Tiana , Giovanni Bussi

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…

定量方法 · 定量生物学 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…

生物大分子 · 定量生物学 2020-03-25 Carlos A. Gandarilla-Pérez , Pierre Mergny , Martin Weigt , Anne-Florence Bitbol

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…

生物大分子 · 定量生物学 2013-08-28 Simona Cocco , Remi Monasson , Martin Weigt

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…

定量方法 · 定量生物学 2020-12-08 Anna Paola Muntoni , Andrea Pagnani , Martin Weigt , Francesco Zamponi

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…

机器学习 · 计算机科学 2020-07-21 Yi Liu , Hao Yuan , Lei Cai , Shuiwang Ji

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…

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…

生物大分子 · 定量生物学 2022-05-19 Andonis Gerardos , Nicola Dietler , Anne-Florence Bitbol

The evolutionary trajectory of a protein through sequence space is constrained by function and three-dimensional (3D) structure. Residues in spatial proximity tend to co-evolve, yet attempts to invert the evolutionary record to identify…

Understanding the molecular determinants of specificity in protein-protein interaction is an outstanding challenge of postgenome biology. The availability of large protein databases generated from sequences of hundreds of bacterial genomes…

生物大分子 · 定量生物学 2009-01-12 M. Weigt , R. A. White , H. Szurmant , J. A. Hoch , T. Hwa

Predicting which proteins interact together from amino-acid sequences is an important task. We develop a method to pair interacting protein sequences which leverages the power of protein language models trained on multiple sequence…

生物大分子 · 定量生物学 2024-12-30 Umberto Lupo , Damiano Sgarbossa , Anne-Florence Bitbol

Interaction between proteins is a fundamental mechanism that underlies virtually all biological processes. Many important interactions are conserved across a large variety of species. The need to maintain interaction leads to a high degree…

定量方法 · 定量生物学 2016-02-25 Christoph Feinauer , Hendrik Szurmant , Martin Weigt , Andrea Pagnani

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…

定量方法 · 定量生物学 2013-01-15 Magnus Ekeberg , Cecilia Lövkvist , Yueheng Lan , Martin Weigt , Erik Aurell

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…

种群与进化 · 定量生物学 2018-08-13 Chen-Yi Gao , Fabio Cecconi , Angelo Vulpiani , Hai-Jun Zhou , Erik Aurell

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…

生物大分子 · 定量生物学 2013-01-18 Sanzo Miyazawa
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