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Studies of coevolution of amino acids within and between proteins have revealed two types of coevolving units: coevolving contacts, which are pairs of amino acids distant along the sequence but in contact in the three-dimensional structure,…

Biomolecules · Quantitative Biology 2015-06-12 Olivier Rivoire

Biological systems must be robust for stable function against perturbations, but robustness alone is not sufficient. The ability to switch between appropriate states (phenotypes) in response to different conditions is essential for…

Populations and Evolution · Quantitative Biology 2023-04-25 Ayaka Sakata , Kunihiko Kaneko

The ability to absorb mutations while retaining structure and function, or mutational robustness, is a remarkable property of natural proteins. In this Letter, we use a computational model of organismic evolution [Zeldovich et al, PLOS Comp…

Biomolecules · Quantitative Biology 2008-06-25 Konstantin B. Zeldovich , Eugene I. Shakhnovich

We introduce structural heterogeneity, a new topological characteristic for semi-ordered materials that captures their degree of organisation at a mesoscopic level and tracks their time-evolution, ultimately detecting the order-disorder…

We develop topological methods for analyzing difference topology experiments involving 3-string tangles. Difference topology is a novel technique used to unveil the structure of stable protein-DNA complexes involving two or more DNA…

Geometric Topology · Mathematics 2016-01-20 Isabel K. Darcy , John Luecke , Mariel Vazquez

Natural genomes sometimes encode two different proteins in staggered reading frames of the same DNA sequence. Despite the prevalence of these 'overlapping genes' across the tree of life, it remains unknown whether arbitrary protein pairs…

Biomolecules · Quantitative Biology 2026-04-02 Orson Kirsch , Nicole Wood , Steven A Redford , Kabir Husain

A protein's function depends critically on its conformational ensemble, a collection of energy weighted structures whose balance depends on temperature and environment. Though recent deep learning (DL) methods have substantially advanced…

Biomolecules · Quantitative Biology 2026-01-09 Myeongsang Lee , Lauren L. Porter

By observing trends in the folding kinetics of experimental 2-state proteins at their transition midpoints, and by observing trends in the barrier heights of numerous simulations of coarse grained, C-alpha model, Go proteins, we show that…

Quantitative Methods · Quantitative Biology 2009-11-10 B. Öztop , M. R. Ejtehadi , S. S. Plotkin

In this work we develop a microscopic physical model of early evolution, where phenotype,organism life expectancy, is directly related to genotype, the stability of its proteins in their native conformations which can be determined exactly…

Biomolecules · Quantitative Biology 2015-05-13 Konstantin Zeldovich , Peiqiu Chen , Boris Shakhnovich , Eugene Shakhnovich

The evolution of the full repertoire of proteins encoded in a given genome is mostly driven by gene duplications, deletions, and sequence modifications of existing proteins. Indirect information about relative rates and other intrinsic…

Genomics · Quantitative Biology 2008-03-25 Jacob Bock Axelsen , Koon-Kiu Yan , Sergei Maslov

Modularity structures are common in various social and biological networks. However, its dynamical origin remains an open question. In this work, we set up a dynamical model describing the evolution of a social network. Based on the…

Physics and Society · Physics 2011-08-19 Menghui Li , Shuguang Guan , Choy-Heng Lai

Biological systems are majorly dependent on their property of bistability in order to exhibit nongenetic heterogeneity in terms of cellular morphology and physiology. Spatial patterns of phenotypically heterogeneous cells, arising due to…

Quantitative Methods · Quantitative Biology 2023-01-25 Priya Chakraborty , Ushasi Roy , Mohit K. Jolly , Sayantari Ghosh

For the vast majority of naturally occurring, small, single domain proteins folding is often described as a two-state process that lacks detectable intermediates. This observation has often been rationalized on the basis of a nucleation…

Biomolecules · Quantitative Biology 2007-07-09 R. D. M. Travasso , P. F. N. Faisca , M. M. Telo da Gama

In the context of multistability driven diseases, like cancer, spatiotemporal plasticity plays a significant role to achieve a spectrum of phenotypic variations. The interplay between gene regulatory networks and environmental factors, such…

Populations and Evolution · Quantitative Biology 2026-02-17 Ranu Kundu , Priya Chakraborty , Sohini Guin , Shyam Sundar Poriah , Sayantari Ghosh

We study the limit of many small mutations of a model of population dynamics. The population is structured by phonological traits and is spatially inhomogeneous. The various sub-populations compete for the same nutrient which diffuses…

Analysis of PDEs · Mathematics 2016-01-19 Pierre-Emmanuel Jabin , Raymond Strother Schram

Robustness to genetic or environmental disturbances is often considered as a key property of living systems. Yet, in spite of being discussed since the 1950s, how robustness emerges from the complexity of genetic architectures and how it…

Populations and Evolution · Quantitative Biology 2022-03-31 Arnaud Le Rouzic

The relationship between network topology and system dynamics has significant implications for unifying our understanding of the interplay among metabolic, gene-regulatory, and ecosystem network architecures. Here we analyze the stability…

Populations and Evolution · Quantitative Biology 2015-06-17 Cameron Smith , Raymond S. Puzio , Aviv Bergman

The intricate three-dimensional geometries of protein tertiary structures underlie protein function and emerge through a folding process from one-dimensional chains of amino acids. The exact spatial sequence and configuration of amino…

Biomolecules · Quantitative Biology 2021-02-24 Nora Molkenthin , Steffen Mühle , Antonia S J S Mey , Marc Timme

There is an intrinsic relationship between the molecular evolution in primordial period and the properties of genomes and proteomes of contemporary species. The genomic data may help us understand the driving force of evolution of life at…

Genomics · Quantitative Biology 2009-11-25 Dirson Jian Li , Shengli Zhang

The structural flexibility of nucleic acids plays a key role in many fundamental life processes, such as gene replication and expression, DNA-protein recognition, and gene regulation. To obtain a thorough understanding of nucleic acid…

Biological Physics · Physics 2015-09-24 Lei Bao , Xi Zhang , Lei Jin , Zhi-Jie Tan