Advanced Mechanical Models of DNA Elasticity

Advanced Mechanical Models of DNA Elasticity
Author: Yakov M Tseytlin
Publisher: Academic Press
Total Pages: 318
Release: 2016-04-08
Genre: Science
ISBN: 0128020369

Advanced Mechanical Models of DNA Elasticity includes coverage on 17 different DNA models and the role of elasticity in biological functions with extensive references. The novel advanced helicoidal model described reflects the direct connection between the molecule helix structure and its specific properties, including nonlinear features and transitions. It provides an introduction to the state of the field of DNA mechanics, known and widely used models with their short analysis, as well as coverage on experimental methods and data, the influence of electrical, magnetic, ionic conditions on the persistence length, and dynamics with viscosity influence. It then addresses the need to understand the nature of the non-linear overstretching transition of DNA under force and why DNA has a negative twist-stretch coupling. Includes coverage of 17 contemporary models of DNA mechanics with analysis Provides comparison of DNA and RNA mechanical features Covers advances in experimental techniques including AFM, X-ray, and optical tweezers Contains extensive references for further reading

Mathematics of DNA Structure, Function and Interactions

Mathematics of DNA Structure, Function and Interactions
Author: Craig John Benham
Publisher: Springer Science & Business Media
Total Pages: 359
Release: 2010-04-29
Genre: Medical
ISBN: 1441906711

Propelled by the success of the sequencing of the human and many related genomes, molecular and cellular biology has delivered significant scientific breakthroughs. Mathematics (broadly defined) continues to play a major role in this effort, helping to discover the secrets of life by working collaboratively with bench biologists, chemists and physicists. Because of its outstanding record of interdisciplinary research and training, the IMA was an ideal venue for the 2007-2008 IMA thematic year on Mathematics of Molecular and Cellular Biology. The kickoff event for this thematic year was a tutorial on Mathematics of Nucleic Acids, followed by the workshop Mathematics of Molecular and Cellular Biology, held September 15--21 at the IMA. This volume is dedicated to the memory of Nicholas R. Cozzarelli, a dynamic leader who fostered research and training at the interface between mathematics and molecular biology. It contains a personal remembrance of Nick Cozzarelli, plus 15 papers contributed by workshop speakers. The papers give an overview of state-of-the-art mathematical approaches to the understanding of DNA structure and function, and the interaction of DNA with proteins that mediate vital life processes.

Statistical Physics Of Dna: An Introduction To Melting, Unzipping And Flexibility Of The Double Helix

Statistical Physics Of Dna: An Introduction To Melting, Unzipping And Flexibility Of The Double Helix
Author: Nikos Theodorakopoulos
Publisher: World Scientific
Total Pages: 196
Release: 2019-12-24
Genre: Science
ISBN: 9811209553

The stability of the DNA double helix is contingent on fine-tuning a number of physicochemical control parameters. Varying any one of them leads to separation of the two strands, in what constitutes a rare physical example of a thermodynamic phase transition in a one-dimensional system. The present book aims at providing a self-contained account of the statistical physics of cooperative processes in DNA, e.g. thermal and mechanical dissociation, force-induced melting, equilibria of hairpin-like secondary structures. In addition, the book presents some fundamental aspects of DNA elasticity, as observed in key experiments, old and new. The latter include some recently published scattering data on apparently soft, short DNA chains and their interpretation in terms of local structural defects (permanent bends, 'kinky DNA', after the original Crick-Klug hypothesis).The development of mathematical models used (Kratky-Porod polymer chain, Poland-Scheraga and Peyrard-Bishop-Dauxois models of DNA melting) emphasizes the use of realistic parameters and the relevance of practical numerical methods for comparing with experimental data. Accordingly, a large number of specially produced figures has been included.The presentation is at the level of an advanced undergraduate or introductory graduate course. An extra chapter provides the necessary mathematical background on elasticity of model polymer chains.

Mechanics of Elastic Biomolecules

Mechanics of Elastic Biomolecules
Author: W.A. Linke
Publisher: Springer Science & Business Media
Total Pages: 223
Release: 2012-12-06
Genre: Science
ISBN: 9401001472

A representative cross-section of elastic biomolecules is covered in this volume, which combines seventeen contributions from leading research groups. State-of-the-art molecular mechanics experiments are described dealing with the elasticity of DNA and nucleoprotein complexes, titin and titin-like proteins in muscle, as well as proteins of the cytoskeleton and the extracellular matrix. The book speaks particularly to cell biologists, biophysicists, or bioengineers, and to senior researchers and graduate students alike, who are interested in recent advances in single-molecule technology (optical tweezers technique, atomic force microscopy), EM imaging, and computer simulation approaches to study nanobiomechanics. The findings discussed here have redefined our view of the role mechanical signals play in cellular functions and have greatly helped improve our understanding of biological elasticity in general.

Mathematical Approaches to Biomolecular Structure and Dynamics

Mathematical Approaches to Biomolecular Structure and Dynamics
Author: Jill P. Mesirov
Publisher: Springer Science & Business Media
Total Pages: 258
Release: 2012-12-06
Genre: Science
ISBN: 1461240662

This IMA Volume in Mathematics and its Applications MATHEMATICAL APPROACHES TO BIOMOLECULAR STRUCTURE AND DYNAMICS is one of the two volumes based on the proceedings of the 1994 IMA Sum mer Program on "Molecular Biology" and comprises Weeks 3 and 4 of the four-week program. Weeks 1 and 2 appeared as Volume 81: Genetic Mapping and DNA Sequencing. We thank Jill P. Mesirov, Klaus Schulten, and De Witt Sumners for organizing Weeks 3 and 4 of the workshop and for editing the proceedings. We also take this opportunity to thank the National Institutes of Health (NIH) (National Center for Human Genome Research), the National Science Foundation (NSF) (Biological Instrumen tation and Resources), and the Department of Energy (DOE), whose fi nancial support made the summer program possible. A vner Friedman Robert Gulliver v PREFACE The revolutionary progress in molecular biology within the last 30 years opens the way to full understanding of the molecular structures and mech anisms of living organisms. Interdisciplinary research in mathematics and molecular biology is driven by ever growing experimental, theoretical and computational power. The mathematical sciences accompany and support much of the progress achieved by experiment and computation as well as provide insight into geometric and topological properties of biomolecular structure and processes. This volume consists of a representative sample of the papers presented during the last two weeks of the month-long Institute for Mathematics and Its Applications Summer 1994 Program in Molecular Biology.

Structural and Elastic Properties of DNA and Chromatin

Structural and Elastic Properties of DNA and Chromatin
Author:
Publisher:
Total Pages:
Release: 2003
Genre:
ISBN:

We investigate a chain consisting of two coupled worm-like chains withconstant distance between the strands. The effects due todouble-strandedness of the chain are studied. In a previous analyticalstudy of this system an intrinsic twist-stretch coupling and atendency of kinking is predicted. Even though a local twist structureis observed the predicted features are not recovered. A new model for DNA at the base-pair level is presented. Thebase-pairs are treated as flat rigid ellipsoids and thesugar-phosphate backbones are represented as stiff harmonic springs. The base-pair stacking interaction is modeled by a variant of theGay-Berne potential. It is shown by systematic coarse-graininghow the elastic constants of a worm-like chain are related to thelocal fluctuations of the base-pair step parameters. Even though a lotof microscopic details of the base-pair geometry is neglected themodel can be optimized to obtain a B-DNA conformation as ground stateand reasonable elastic properties. Moreover the model allows tosimulate much larger length scales than it is possible with atomisticsimulations due to the simplification of the force-field and inparticular due to the possibility of non-local Monte-Carlo moves. Asa first application the behavior under stretching is investigated. Inagreement with micromanipulation experiments on single DNA moleculesone observes a force-plateau in the force-extension curvescorresponding to an overstretching transition from B-DNA to aso-called S-DNA state. The model suggests a structure for S-DNA withhighly inclined base-pairs in order to enable at least partialbase-pair stacking. Finally a simple model for chromatin is introduced to study itsstructural and elastic properties. The underlying geometry of themodeled fiber is based on a crossed-linker model. The chromatosomesare treated as disk-like objects. Excluded volume and short rangenucleosomal interaction are taken into account by a variant of theGay-Berne potential. It is found that the be.

Computational Modeling of DNA Elastic Energy to Predict Structure and Topology of Protein Mediated DNA Loops

Computational Modeling of DNA Elastic Energy to Predict Structure and Topology of Protein Mediated DNA Loops
Author: Pamela Joan Perez
Publisher:
Total Pages: 138
Release: 2017
Genre: Proteins
ISBN:

In addition to the genetic message, DNA base sequence carries a multitude of structural and energetic signals important to the packaging and processing of the genetic material. One way in which these signals enter is through the looping of DNA, mediated by proteins that attach to specific, widely separated base-pair elements along the chain molecule. Here I explore the influence of local sequence-dependent features of DNA on the ease of looping between the binding headpieces of the Lac repressor protein. I then consider the role that conformational flexibility of the Lac repressor plays on the conformation of the intervening DNA. I also provide insight into genome architecture by modeling nucleoprotein systems of protein partitioned-minicircles with two topologically independent domains. I identify the energetically preferred spatial pathways of short, protein-anchored fragments of ideal DNA and show that the energies capture the looping propensities and modes of chain attachment found by direct computer sampling. I examine the effects of the helical repeat, mode/range of local deformations, and intrinsic curvature on overall energy and chain configuration. I discuss the findings in the context of the effects of nucleotide sequence seen in recent studies of Lac repressor-mediated loops, including the looping topologies dictated by the settings of a naturally curved DNA insert and the looping propensities of A·T- vs. G·C-rich DNA. I describe the effects of fluctuations in protein conformation on looping likelihood.