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What are the structural determinants of protein sequence evolution? A number of site-specific structural characteristics have been proposed, most of which are broadly related to either the density of contacts or the solvent accessibility of…

Biological Physics · Physics 2017-01-31 Amir Shahmoradi , Claus Wilke

Mixed-effects models are among the most commonly used statistical methods for the exploration of multispecies data. In recent years, also Joint Species Distribution Models and Generalized Linear Latent Variale Models have gained in…

Computation · Statistics 2025-01-31 Bert van der Veen , Robert Brian O'Hara

Deep learning approaches achieved significant progress in predicting protein structures. These methods are often applied to protein-protein interactions (PPIs) yet require Multiple Sequence Alignment (MSA) which is unavailable for various…

Machine Learning · Computer Science 2024-06-27 Matan Halfon , Tomer Cohen , Raanan Fattal , Dina Schneidman-Duhovny

The evolutionary reason for the increase in gene length from archaea to prokaryotes to eukaryotes observed in large scale genome sequencing efforts has been unclear. We propose here that the increasing complexity of protein-protein…

Molecular Networks · Quantitative Biology 2009-11-10 Taison Tan , Daan Frenkel , Vishal Gupta , Michael W. Deem

Phylogenetic comparative methods explore the relationships between quantitative traits adjusting for shared evolutionary history. This adjustment often occurs through a Brownian diffusion process along the branches of the phylogeny that…

Methodology · Statistics 2017-01-27 Max R. Tolkoff , Michael L. Alfaro , Guy Baele , Philippe Lemey , Marc A. Suchard

Potts statistical models have become a popular and promising way to analyze mutational covariation in protein Multiple Sequence Alignments (MSAs) in order to understand protein structure, function and fitness. But the statistical…

Quantitative Methods · Quantitative Biology 2019-03-13 Allan Haldane , Ronald M. Levy

Phylogenetics is the study of the evolutionary relationships between organisms. One of the main challenges in the field is to take biological data for a group of organisms and to infer an evolutionary tree, a graph that represents these…

Populations and Evolution · Quantitative Biology 2019-06-05 Elizabeth Gross , Colby Long , Joseph Rusinko

Many forensic genetics problems can be handled using structured systems of discrete variables, for which Bayesian networks offer an appealing practical modeling framework, and allow inferences to be computed by probability propagation…

Applications · Statistics 2009-08-21 Peter J. Green , Julia Mortera

Contact (or mixing, or more generally connectivity) matrices are a fundamental component of modelling and inference for infectious disease epidemiology. Their structure and parametrisation directly accounts for the frequency of interactions…

Protein structures are much more conserved than sequences during evolution. Based on this observation, we investigate the consequences of structural conservation on protein evolution. We study seven of the most studied protein folds,…

Soft Condensed Matter · Physics 2007-05-23 Ugo Bastolla , Markus Porto , H. Eduardo Roman , Michele Vendruscolo

Modern biomedicine is challenged to predict the effects of genetic variation. Systematic functional assays of point mutants of proteins have provided valuable empirical information, but vast regions of sequence space remain unexplored.…

Biomolecules · Quantitative Biology 2017-01-18 Thomas A. Hopf , John B. Ingraham , Frank J. Poelwijk , Michael Springer , Chris Sander , Debora S. Marks

The way to infer well-supported phylogenetic trees that precisely reflect the evolutionary process is a challenging task that completely depends on the way the related core genes have been found. In previous computational biology studies,…

Cotranslational folding depends on the folding speed and stability of the nascent protein. It remains difficult, however, to predict which proteins cotranslationally fold. Here, we simulate evolution of model proteins to investigate how…

Biomolecules · Quantitative Biology 2020-10-28 Victor Zhao , William M. Jacobs , Eugene I. Shakhnovich

Inferring evolutionary histories (phylogenetic trees) has important applications in biology, criminology and public health. However, phylogenetic trees are complex mathematical objects that reside in a non-Euclidean space, which complicates…

Methodology · Statistics 2017-10-16 Amy Willis

Terraces are potentially large sets of trees with precisely the same likelihood or parsimony score, which can be induced by missing sequences in partitioned multi-locus phylogenetic data matrices. The set of trees on a terrace can be…

Populations and Evolution · Quantitative Biology 2014-10-30 Michael J Sanderson , Michelle M. McMahon , Alexandros Stamatakis , Derrick J. Zwickl , Mike Steel

The evolutionary relationships between species are typically represented in the biological literature by rooted phylogenetic trees. However, a tree fails to capture ancestral reticulate processes, such as the formation of hybrid species or…

Populations and Evolution · Quantitative Biology 2024-12-09 Johanna Heiss , Daniel H. Huson , Mike Steel

Sequence comparison and alignment has had an enormous impact on our understanding of evolution, biology, and disease. Comparison and alignment of biological networks will likely have a similar impact. Existing network alignments use…

Molecular Networks · Quantitative Biology 2009-10-08 Oleksii Kuchaiev , Tijana Milenkovic , Vesna Memisevic , Wayne Hayes , Natasa Przulj

The prediction of protein-ligand binding affinity is of great significance for discovering lead compounds in drug research. Facing this challenging task, most existing prediction methods rely on the topological and/or spatial structure of…

Biomolecules · Quantitative Biology 2022-09-28 Yang Zhang , Gengmo Zhou , Zhewei Wei , Hongteng Xu

Classical causal and statistical inference methods typically assume the observed data consists of independent realizations. However, in many applications this assumption is inappropriate due to a network of dependences between units in the…

Machine Learning · Computer Science 2019-07-02 Rohit Bhattacharya , Daniel Malinsky , Ilya Shpitser

We investigate how the pattern of contacts between species in mutualistic ecosystems is affected by the phylogenetic proximity between the species of each guild. We develop several theoretical tools to measure that effect and we use them to…

Populations and Evolution · Quantitative Biology 2010-08-02 R. P. J. Perazzo , Laura Hernández , Horacio Ceva , Enrique Burgos , José Ignacio Alvarez-Hamelin
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