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Phylogenetic mixture models are statistical models of character evolution allowing for heterogeneity. Each of the classes in some unknown partition of the characters may evolve by different processes, or even along different trees. The…

Populations and Evolution · Quantitative Biology 2010-11-19 John A. Rhodes , Seth Sullivant

In the protein sequence space, natural proteins form clusters of families which are characterized by their unique native folds whereas the great majority of random polypeptides are neither clustered nor foldable to unique structures. Since…

Biomolecules · Quantitative Biology 2018-02-06 Akira R. Kinjo

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

The reliability of a phylogenetic inference method from genomic sequence data is ensured by its statistical consistency. Bayesian inference methods produce a sample of phylogenetic trees from the posterior distribution given sequence data.…

Metric Geometry · Mathematics 2016-06-10 Alex Gavryushkin , Alexei J. Drummond

The linking genotype to phenotype is the fundamental aim of modern genetics. We focus on study of links between gene expression data and phenotype data through integrative analysis. We propose three approaches. 1) The inherent complexity of…

Quantitative Methods · Quantitative Biology 2015-06-30 Min Xu

Proteins perform critical processes in all living systems: converting solar energy into chemical energy, replicating DNA, as the basis of highly performant materials, sensing and much more. While an incredible range of functionality has…

Biomolecules · Quantitative Biology 2021-09-29 Leonardo V. Castorina , Rokas Petrenas , Kartic Subr , Christopher W. Wood

The growing interest for comparing protein internal dynamics owes much to the realization that protein function can be accompanied or assisted by structural fluctuations and conformational changes. Analogously to the case of functional…

Biomolecules · Quantitative Biology 2012-12-19 C. Micheletti

Phylogenetic networks are a generalization of phylogenetic trees that are used in biology to represent reticulate or non-treelike evolution. Recently, several algorithms have been developed which aim to construct phylogenetic networks from…

Populations and Evolution · Quantitative Biology 2011-10-05 K. T. Huber , V. Moulton

Improving the ability to predict protein function can potentially facilitate research in the fields of drug discovery and precision medicine. Technically, the properties of proteins are directly or indirectly reflected in their sequence and…

Biomolecules · Quantitative Biology 2024-11-19 Runze Ma , Chengxin He , Huiru Zheng , Xinye Wang , Haiying Wang , Yidan Zhang , Lei Duan

Deep learning has become a crucial tool in studying proteins. While the significance of modeling protein structure has been discussed extensively in the literature, amino acid types are typically included in the input as a default operation…

Quantitative Methods · Quantitative Biology 2024-07-01 Yang Tan , Lirong Zheng , Bozitao Zhong , Liang Hong , Bingxin Zhou

Phylogenetic analyses of gene expression have great potential for addressing a wide range of questions. These analyses will, for example, identify genes that have evolutionary shifts in expression that are correlated with evolutionary…

Populations and Evolution · Quantitative Biology 2014-01-14 Casey W. Dunn , Xi Luo , Zhijin Wu

Multiple sequence alignment (MSA) data play a crucial role in the study of protein mutations, with contact prediction being a notable application. Existing methods are often model-based or algorithmic and typically do not incorporate…

Methodology · Statistics 2026-01-23 Fan Yang , Zhao Ren , Wen Zhou , Kejue Jia , Robert Jernigan

Generative models derived from large protein sequence alignments define complex fitness landscapes, but their utility for accurately modeling non-equilibrium evolutionary dynamics remains unclear. In this work, we perform a rigorous…

Populations and Evolution · Quantitative Biology 2026-02-10 Leonardo Di Bari , Thierry Mora , Andrea Pagnani , Aleksandra M. Walczak , Francesco Zamponi , Saverio Rossi

Deep learning has been widely used for protein engineering. However, it is limited by the lack of sufficient experimental data to train an accurate model for predicting the functional fitness of high-order mutants. Here, we develop SESNet,…

Quantitative Methods · Quantitative Biology 2023-04-10 Mingchen Li , Liqi Kang , Yi Xiong , Yu Guang Wang , Guisheng Fan , Pan Tan , Liang Hong

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

Deep neural networks, particularly Transformers, have been widely adopted for predicting the functional properties of proteins. In this work, we focus on exploring whether Protein Transformers can capture biological intelligence among…

Machine Learning · Computer Science 2025-06-10 Fudong Lin , Wanrou Du , Jinchan Liu , Tarikul Milon , Shelby Meche , Wu Xu , Xiaoqi Qin , Xu Yuan

A gene's rate of sequence evolution is among the most fundamental evolutionary quantities in common use, but what determines evolutionary rates has remained unclear. Here, we show that the two most commonly used methods to disentangle the…

Populations and Evolution · Quantitative Biology 2007-05-23 D. Allan Drummond , Alpan Raval , Claus O. Wilke

Proteins are central to biological systems, participating as building blocks across all forms of life. Despite advancements in understanding protein functions through protein sequence analysis, there remains potential for further…

Machine Learning · Computer Science 2025-08-29 Yunqing Liu , Wenqi Fan , Xiaoyong Wei , Qing Li

Accurately assigning folds for divergent protein sequences is a major obstacle to structural studies and underlies the inverse protein folding problem. Herein, we outline our theories for fold-recognition in the "twilight-zone" of sequence…

Quantitative Methods · Quantitative Biology 2010-08-31 Yoojin Hong , Kyung Dae Ko , Gaurav Bhardwaj , Zhenhai Zhang , Damian B. van Rossum , Randen L. Patterson

Predicting protein function from amino acid sequence remains a central challenge in data-scarce (low-$N$) regimes, limiting machine learning-guided protein design when only small amounts of assay-labeled sequence-function data are…

Machine Learning · Computer Science 2025-08-27 Darin Tsui , Kunal Talreja , Amirali Aghazadeh
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