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The structure of DNA in the nucleosome core particle is studied using an elastic model that incorporates anisotropy in the bending energetics and twist-bend coupling. Using the experimentally determined structure of nucleosomal DNA [T.J.…

Biomolecules · Quantitative Biology 2009-11-13 Farshid Mohammad-Rafiee , Ramin Golestanian

We propose a protein model based on a hierarchy of constraints that force the protein to follow certain pathways when changing conformation. The model exhibits a first order phase transition, cooperativity and is exactly solvable. It also…

Condensed Matter · Physics 2015-06-25 Alex Hansen , Mogens H. Jensen , Kim Sneppen , Giovanni Zocchi

DNA is structurally and mechanically altered by the binding of intercalator molecules. Intercalation strongly affects the force-extension behavior of DNA, in particular the overstretching transition. We present a statistical model that…

All living systems can function only far away from equilibrium, and for this reason chemical kinetic methods are critically important for uncovering the mechanisms of biological processes. Here we present a new theoretical method of…

Subcellular Processes · Quantitative Biology 2018-04-27 Maria P. Kochugaeva , Alexey A. Shvets , Anatoly B. Kolomeisky

The chromosomal DNA of bacteria is folded into a compact body called the nucleoid, which is composed essentially of DNA (80%), RNA (10%), and a number of different proteins (10%). These nucleoid proteins act as regulators of gene expression…

Biological Physics · Physics 2021-10-15 Marc Joyeux

Genomic DNA is constantly subjected to various mechanical stresses arising from its biological functions and cell packaging. If the local mechanical properties of DNA change under torsional and tensional stress, the activity of…

Biomolecules · Quantitative Biology 2015-05-28 Alexey K. Mazur

How DNA is mapped to functional proteins is a basic question of living matter. We introduce and study a physical model of protein evolution which suggests a mechanical basis for this map. Many proteins rely on large-scale motion to…

Biological Physics · Physics 2017-08-18 Tsvi Tlusty , Albert Libchaber , Jean-Pierre Eckmann

The mechanical properties of DNA are typically described by elastic theories with purely local couplings (on-site models). We discuss and analyze coarse-grained (oxDNA) and all-atom simulations, which indicate that in DNA distal sites are…

Soft Condensed Matter · Physics 2021-04-21 Enrico Skoruppa , Aderik Voorspoels , Jocelyne Vreede , Enrico Carlon

The strength of the spin-orbit interaction relevant to transport in a low dimensional structure depends critically on the relative geometrical arrangement of current carrying orbitals. Recent tight-binding orbital models for spin transport…

Mesoscale and Nanoscale Physics · Physics 2017-10-20 Solmar Varela , Vladimiro Mujica , Ernesto Medina

The principles underlying protein folding remains one of Nature's puzzles with important practical consequences for Life. An approach that has gathered momentum since the late 1990's, looks at protein hetero-polymers and their folding…

Computational Engineering, Finance, and Science · Computer Science 2011-10-05 Susan Khor

The adhesion of biomembranes is mediated by the binding of membrane-anchored receptor and ligand proteins. The proteins can only bind if the separation between apposing membranes is sufficiently close to the length of the protein complexes,…

Subcellular Processes · Quantitative Biology 2019-11-22 Thomas R. Weikl , Jinglei Hu , Batuhan Kav , Bartosz Rozycki

Cooperativity is a hallmark of proteins, many of which show a modular architecture comprising discrete structural domains. Detecting and describing dynamic couplings between structural regions is difficult in view of the many-body nature of…

Biological Physics · Physics 2015-02-03 Olga Kononova , Lee Jones , Valeri Barsegov

In this review we focus on the idea of establishing connections between the mechanical properties of DNAligand complexes and the physical chemistry of DNA-ligand interactions. This type of connection is interesting because it opens the…

Biological Physics · Physics 2015-04-20 M. S. Rocha

RNA protein interactions control the fate of cellular RNAs and play an important role in gene regulation. An interdependency between such interactions allows for the implementation of logic functions in gene regulation. We investigate the…

Biomolecules · Quantitative Biology 2013-11-12 Yi-Hsuan Lin , Ralf Bundschuh

DNA bending is biologically important for genome regulation and is relevant to a range of nanotechnological systems. Recent results suggest that sharp bending is much easier than implied by the widely-used worm-like chain model; many of…

Biomolecules · Quantitative Biology 2015-07-01 Ryan M. Harrison , Flavio Romano , Thomas E. Ouldridge , Ard A. Louis , Jonathan P. K. Doye

The three dimensional structure of a protein is an outcome of the interactions of its constituent amino acids in 3D space. Considering the amino acids as nodes and the interactions among them as edges we have constructed and analyzed…

Biomolecules · Quantitative Biology 2010-07-26 Dhriti Sengupta , Sudip Kundu

A protein model with the pairwise interaction energies varying as local environment changes, i.e., including some kinds of collective effect between the contacts, is proposed. Lattice Monte Carlo simulations on the thermodynamical…

Soft Condensed Matter · Physics 2009-11-07 K. Fan , J. Wang , W. Wang

Numerous cellular functions rely on protein$\unicode{x2013}$protein interactions. Efforts to comprehensively characterize them remain challenged however by the diversity of molecular recognition mechanisms employed within the proteome. Deep…

Biomolecules · Quantitative Biology 2023-12-08 Julia R. Rogers , Gergő Nikolényi , Mohammed AlQuraishi

The hybridization and dehybridization of DNA subject to tension is relevant to fundamental genetic processes and to the design of DNA-based mechanobiology assays. While strong tension accelerates DNA melting and decelerates DNA annealing,…

Biological Physics · Physics 2022-04-20 Derek J. Hart , Jiyoun Jeong , James C. Gumbart , Harold D. Kim

Protein-DNA interactions are crucial for all biological processes. One of the most important fundamental aspects of these interactions is the process of protein searching and recognizing specific binding sites on DNA. A large number of…

Subcellular Processes · Quantitative Biology 2015-09-30 Martin Lange , Maria Kochugaeva , Anatoly B. Kolomeisky