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During their evolution, proteins explore sequence space via an interplay between random mutations and phenotypic selection. Here we build upon recent progress in reconstructing data-driven fitness landscapes for families of homologous…

Biomolecules · Quantitative Biology 2022-01-28 Matteo Bisardi , Juan Rodriguez-Rivas , Francesco Zamponi , Martin Weigt

Proteins populate a manifold in the high-dimensional sequence space whose geometrical structure guides their natural evolution. Leveraging recently-developed structure prediction tools based on transformer models, we first examine the…

Biomolecules · Quantitative Biology 2023-11-13 A. Zambon , R. Zecchina , G. Tiana

Finding a few solutions for a given problem that are diverse, as opposed to finding a single best solution to solve the problem, has recently become a notable topic in theoretical computer science. Recently, Baste, Fellows, Jaffke,…

Data Structures and Algorithms · Computer Science 2026-03-30 Karolina Drabik , Tomáš Masařík

The inference of the evolutionary history of a collection of organisms is a problem of fundamental importance in evolutionary biology. The abundance of DNA sequence data arising from genome sequencing projects has led to significant…

Populations and Evolution · Quantitative Biology 2015-07-07 Julia Chifman , Laura Kubatko

Possibility to establish macroscopic phenomenological theory for biological systems, akin to the akin to the well-established framework of thermodynamics, is briefly reviewed. We introduce the concept of an evolutionary fluctuation-response…

Biological Physics · Physics 2024-01-11 Kunihiko Kaneko

The inability to resolve deep node relationships of highly divergent/rapidly evolving protein families is a major factor that stymies evolutionary studies. In this manuscript, we propose a Multiple Sequence Alignment (MSA) independent…

Despite the importance of a thermodynamically stable structure with a conserved fold for protein function, almost all evolutionary models neglect site-site correlations that arise from physical interactions between neighboring amino acid…

Populations and Evolution · Quantitative Biology 2013-12-04 Andrew J. Bordner , Hans D. Mittelmann

Function of proteins or a network of interacting proteins often involves communication between residues that are well separated in sequence. The classic example is the participation of distant residues in allosteric regulation.…

Biomolecules · Quantitative Biology 2007-05-23 Ruxandra I. Dima , D. Thirumalai

In recent times whole-genome gene expression analysis has turned out to be a highly important tool to study the coordinated function of a very large number of genes within their corresponding cellular environment, especially in relation to…

Genomics · Quantitative Biology 2009-09-21 Enrique Hernandez-Lemus

Since protein mutations are the main driving force of evolution at the molecular level, a proper analysis of them (and the factors controlling them) will enable us to find a response to several crucial queries in evolutionary biology. Among…

Populations and Evolution · Quantitative Biology 2024-12-24 J. A. Vila

A central question in developmental biology is how size and position are determined. The genetic code carries instructions on how to control these properties in order to regulate the pattern and morphology of structures in the developing…

Cell Behavior · Quantitative Biology 2016-12-05 Krishna Garikipati

One of the outstanding challenges in comparative genomics is to interpret the evolutionary importance of regulatory variation between species. Rigorous molecular evolution-based methods to infer evidence for natural selection from…

Populations and Evolution · Quantitative Biology 2013-10-16 Joshua G. Schraiber , Yulia Mostovoy , Tiffany Y. Hsu , Rachel B. Brem

Protein dynamics underlie many biological functions, yet remain difficult to characterize due to the high computational cost of molecular dynamics simulations and the scarcity of dynamic structural data. This survey reviews recent advances…

Biomolecules · Quantitative Biology 2026-04-29 Haocheng Tang , Liang Shi , Ya-Shi Zhang , Xixian Liu , Jian Tang , Jiarui Lu

Proteins are the major building blocks of life, and actuators of almost all chemical and biophysical events in living organisms. Their native structures in turn enable their biological functions which have a fundamental role in drug design.…

One of the basic questions of phylogenomics is how gene function evolves, whether among species or inside gene families. In this chapter, we provide a brief overview of the problems associated with defining gene function in a manner which…

Populations and Evolution · Quantitative Biology 2019-10-08 Marc Robinson-Rechavi

Phylogenetic trees elucidate evolutionary relationships among species, but phylogenetic inference remains challenging due to the complexity of combining continuous (branch lengths) and discrete parameters (tree topology). Traditional Markov…

Populations and Evolution · Quantitative Biology 2024-12-30 ChenRui Duan , Zelin Zang , Siyuan Li , Yongjie Xu , Stan Z. Li

The aim of this review is to present and analyze the probabilistic models of mathematical phylogenetics which have been intensively used in recent years in biology as the cornerstone of attempts to infer and reconstruct the ancestral…

Populations and Evolution · Quantitative Biology 2020-01-08 Peter D Jarvis , Jeremy G Sumner

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

The effects of the evolution force are observable in nature at all structural levels ranging from small molecular systems to conversely enormous biospheric systems. However, the evolution force and work associated with formation of…

Biological Physics · Physics 2021-03-19 Leroy K. Davis

In Proteomics, only the de novo peptide sequencing approach allows a partial amino acid sequence of a peptide to be found from a MS/MS spectrum. In this article a preliminary work is presented to discover a complete protein sequence from…

Quantitative Methods · Quantitative Biology 2008-12-18 Jean-Charles Boisson , Laetitia Jourdan , El-Ghazali Talbi , Christian Rolando