Statistical Mechanics Protein Structure And Protein Substrate Interactions

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Statistical Mechanics, Protein Structure, and Protein Substrate Interactions

Author : Sebastian Doniach
Publisher : Springer Science & Business Media
ISBN 13 : 1489913491
Total Pages : 400 pages
Book Rating : 4.4/5 (899 download)

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Book Synopsis Statistical Mechanics, Protein Structure, and Protein Substrate Interactions by : Sebastian Doniach

Download or read book Statistical Mechanics, Protein Structure, and Protein Substrate Interactions written by Sebastian Doniach and published by Springer Science & Business Media. This book was released on 2013-11-22 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: A number of factors have come together in the last couple of decades to define the emerging interdisciplinary field of structural molecular biology. First, there has been the considerable growth in our ability to obtain atomic-resolution structural data for biological molecules in general, and proteins in particular. This is a result of advances in technique, both in x-ray crystallography, driven by the development of electronic detectors and of synchrotron radiation x-ray sources, and by the development ofNMR techniques which allow for inference of a three-dimensional structure of a protein in solution. Second, there has been the enormous development of techniques in DNA engineering which makes it possible to isolate and clone specific molecules of interest in sufficient quantities to enable structural measurements. In addition, the ability to mutate a given amino acid sequence at will has led to a new branch of biochemistry in which quantitative measurements can be made assessing the influence of a given amino acid on the function of a biological molecule. A third factor, resulting from the exponential increase in computing power available to researchers, has been the emergence of a growing body of people who can take the structural data and use it to build atomic-scale models of biomolecules in order to try and simulate their motions in an aqueous environment, thus helping to provide answers to one of the most basic questions of molecular biology: the relation of structure to function.

Statistical Mechanics, Protein Structure, and Protein Substrate Interactions

Author : Sebastian Doniach
Publisher :
ISBN 13 : 9781489913500
Total Pages : 420 pages
Book Rating : 4.9/5 (135 download)

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Book Synopsis Statistical Mechanics, Protein Structure, and Protein Substrate Interactions by : Sebastian Doniach

Download or read book Statistical Mechanics, Protein Structure, and Protein Substrate Interactions written by Sebastian Doniach and published by . This book was released on 2014-09-01 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Protein Actions

Author : Ken Dill
Publisher : Garland Science
ISBN 13 : 1351815008
Total Pages : pages
Book Rating : 4.3/5 (518 download)

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Book Synopsis Protein Actions by : Ken Dill

Download or read book Protein Actions written by Ken Dill and published by Garland Science. This book was released on 2017-09-19 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Protein Actions: Principles and Modeling is aimed at graduates, advanced undergraduates, and any professional who seeks an introduction to the biological, chemical, and physical properties of proteins. Broadly accessible to biophysicists and biochemists, it will be particularly useful to student and professional structural biologists and molecular biophysicists, bioinformaticians and computational biologists, biological chemists (particularly drug designers) and molecular bioengineers. The book begins by introducing the basic principles of protein structure and function. Some readers will be familiar with aspects of this, but the authors build up a more quantitative approach than their competitors. Emphasizing concepts and theory rather than experimental techniques, the book shows how proteins can be analyzed using the disciplines of elementary statistical mechanics, energetics, and kinetics. These chapters illuminate how proteins attain biologically active states and the properties of those states. The book ends with a synopsis the roles of computational biology and bioinformatics in protein science.

Lectures on Statistical Physics and Protein Folding

Author : Kerson Huang
Publisher : World Scientific
ISBN 13 : 9812561439
Total Pages : 159 pages
Book Rating : 4.8/5 (125 download)

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Book Synopsis Lectures on Statistical Physics and Protein Folding by : Kerson Huang

Download or read book Lectures on Statistical Physics and Protein Folding written by Kerson Huang and published by World Scientific. This book was released on 2005 with total page 159 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces an approach to protein folding from the point of view of kinetic theory. There is an abundance of data on protein folding, but few proposals are available on the mechanism driving the process. Here, presented for the first time, are suggestion on possible research directions, as developed by the author in collaboration with C. C. Lin. The first half of this invaluable book contains a concise but relatively complete review of relevant topics in statistical mechanics and kinetic theory. It includes standard topics such as thermodynamics, the Maxwell-Boltzmann distribution, and ensemble theory. Special discussions include the dynamics of phase transitions, and Brownian motion as an illustration of stochastic processes. The second half develops topics in molecular biology and protein structure, with a view to discovering mechanisms underlying protein folding. Attention is focused on the energy flow through the protein in its folded state. A mathematical model, based on the Brownian motion of coupled harmonic oscillators, is worked out in the appendix.

Protein Physics

Author : Alexei V. Finkelstein
Publisher : Academic Press
ISBN 13 : 9780122567810
Total Pages : 382 pages
Book Rating : 4.5/5 (678 download)

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Book Synopsis Protein Physics by : Alexei V. Finkelstein

Download or read book Protein Physics written by Alexei V. Finkelstein and published by Academic Press. This book was released on 2002-05-14 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Covers the most general problems of protein structure, folding and function and introduces the concepts and theories. It deals with fibrous, membrane and especially water-soluble globular proteins, in both their native and denatured states. The book summarizes and presents in a systematic way the results of several decades of worldwide fundamental research on protein physics, structure and folding"--Back cover.

Computational Statistical Mechanics of Protein Function

Author : Mauro Lorenzo Mugnai
Publisher :
ISBN 13 :
Total Pages : 358 pages
Book Rating : 4.:/5 (893 download)

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Book Synopsis Computational Statistical Mechanics of Protein Function by : Mauro Lorenzo Mugnai

Download or read book Computational Statistical Mechanics of Protein Function written by Mauro Lorenzo Mugnai and published by . This book was released on 2014 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular dynamics (MD) provides an atomically detailed description of the dynamics of a system of atoms. It is a useful tool to understand how protein function arises from the dynamics of the atoms of the protein and of its environment. When the MD model is accurate, analyzing a MD trajectory unveils features of the proteins that are not available from a single snapshot or a static structure. When the sampling of the accessible configurations is accurate, we can employ statistical mechanics (SM) to connect the trajectory generated by MD to experimentally measurable kinetic and thermodynamic quantities that are related to function. In this dissertation I describe three applications of MD and SM in the field of biochemistry. First, I discuss the theory of alchemical methods to compute free energy differences. In these methods a fragment of a system is computationally modified by removing its interactions with the environment and creating the interactions of the environment with the new species. This theory provides a numerical scheme to efficiently compute protein-ligand affinity, solvation free energies, and the effect of mutations on protein structure. I investigated the theory and stability of the numerical algorithm. The second research topic that I discuss considers a model of the dynamics of a set of coarse variables. The dynamics in coarse space is modeled by the Smoluchowski equation. To employ this description it is necessary to have the correct potential of mean force and diffusion tensor in the space of coarse variables. I describe a new method that I developed to extract the diffusion tensor from a MD simulation. Finally, I employed MD simulations to explain at a microscopic level the stereospecificity of the enzyme ketoreductase. To do so, I ran multiple simulations of the enzyme bound with the correct ligand and its enantiomer in a reactive configuration. The simulations showed that the enzyme retained the correct stereoisomer closer to the reactive configuration, and highlighted which interactions are responsible for the specificity. These weak physical interactions enhance binding with the correct ligand even prior to the steps of chemical modification.

Equilibria and Kinetics of Biological Macromolecules

Author : Prof. Jan Hermans
Publisher : John Wiley & Sons
ISBN 13 : 1118733770
Total Pages : 411 pages
Book Rating : 4.1/5 (187 download)

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Book Synopsis Equilibria and Kinetics of Biological Macromolecules by : Prof. Jan Hermans

Download or read book Equilibria and Kinetics of Biological Macromolecules written by Prof. Jan Hermans and published by John Wiley & Sons. This book was released on 2013-10-22 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progressively builds a deep understanding of macromolecular behavior Based on each of the authors' roughly forty years of biophysics research and teaching experience, this text instills readers with a deep understanding of the biophysics of macromolecules. It sets a solid foundation in the basics by beginning with core physical concepts such as thermodynamics, quantum chemical models, molecular structure and interactions, and water and the hydrophobic effect. Next, the book examines statistical mechanics, protein-ligand binding, and conformational stability. Finally, the authors address kinetics and equilibria, exploring underlying theory, protein folding, and stochastic models. With its strong emphasis on molecular interactions, Equilibria and Kinetics of Biological Macromolecules offers new insights and perspectives on proteins and other macromolecules. The text features coverage of: Basic theory, applications, and new research findings Related topics in thermodynamics, quantum mechanics, statistical mechanics, and molecular simulations Principles and applications of molecular simulations in a dedicated chapter and interspersed throughout the text Macromolecular binding equilibria from the perspective of statistical mechanics Stochastic processes related to macromolecules Suggested readings at the end of each chapter include original research papers, reviews and monographs, enabling readers to explore individual topics in greater depth. At the end of the text, ten appendices offer refreshers on mathematical treatments, including probability, computational methods, Poisson equations, and defining molecular boundaries. With its classroom-tested pedagogical approach, Equilibria and Kinetics of Biological Macromolecules is recommended as a graduate-level textbook for biophysics courses and as a reference for researchers who want to strengthen their understanding of macromolecular behavior.

Frontiers in Protein Structure, Function, and Dynamics

Author : Dev Bukhsh Singh
Publisher : Springer Nature
ISBN 13 : 9811555303
Total Pages : 458 pages
Book Rating : 4.8/5 (115 download)

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Book Synopsis Frontiers in Protein Structure, Function, and Dynamics by : Dev Bukhsh Singh

Download or read book Frontiers in Protein Structure, Function, and Dynamics written by Dev Bukhsh Singh and published by Springer Nature. This book was released on 2020-07-02 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book discusses a broad range of basic and advanced topics in the field of protein structure, function, folding, flexibility, and dynamics. Starting with a basic introduction to protein purification, estimation, storage, and its effect on the protein structure, function, and dynamics, it also discusses various experimental and computational structure determination approaches; the importance of molecular interactions and water in protein stability, folding and dynamics; kinetic and thermodynamic parameters associated with protein-ligand binding; single molecule techniques and their applications in studying protein folding and aggregation; protein quality control; the role of amino acid sequence in protein aggregation; muscarinic acetylcholine receptors, antimuscarinic drugs, and their clinical significances. Further, the book explains the current understanding on the therapeutic importance of the enzyme dopamine beta hydroxylase; structural dynamics and motions in molecular motors; role of cathepsins in controlling degradation of extracellular matrix during disease states; and the important structure-function relationship of iron-binding proteins, ferritins. Overall, the book is an important guide and a comprehensive resource for understanding protein structure, function, dynamics, and interaction.

Statistical Mechanics and Kinetics of Protein Folding and Aggregation

Author : John Stephen Schreck
Publisher :
ISBN 13 :
Total Pages : 316 pages
Book Rating : 4.:/5 (825 download)

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Book Synopsis Statistical Mechanics and Kinetics of Protein Folding and Aggregation by : John Stephen Schreck

Download or read book Statistical Mechanics and Kinetics of Protein Folding and Aggregation written by John Stephen Schreck and published by . This book was released on 2013 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advisor: Jian-Min Yuan.

Proteins

Author : Charles L. Brooks
Publisher : John Wiley & Sons
ISBN 13 : 0470141816
Total Pages : 278 pages
Book Rating : 4.4/5 (71 download)

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Book Synopsis Proteins by : Charles L. Brooks

Download or read book Proteins written by Charles L. Brooks and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 278 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presenting a wide-ranging view of current developments in protein research, the papers in this collection, each written by highly regarded experts in the field, examine various aspects of protein structure, functions, dynamics, and experimentation. Topics include dynamical simulation methods, the biological role of atom fluctuations, protein folding, influences on protein dynamics, and a variety of analytical techniques, such as X-ray diffraction, vibrational spectroscopy, photodissociation and rebinding kinetics. This is part of a series devoted to providing general information on a wide variety of topics in chemical physics in order to stimulate new research and to serve as a text for beginners in a particular area of chemical physics.

Statistical Mechanics Models in Protein Association Problems

Author : Nelson Javier Ramallo
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (129 download)

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Book Synopsis Statistical Mechanics Models in Protein Association Problems by : Nelson Javier Ramallo

Download or read book Statistical Mechanics Models in Protein Association Problems written by Nelson Javier Ramallo and published by . This book was released on 2020 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Protein-Protein interactions can lead to disordered states such as precipitates or gels, or to ordered states such as crystals or microtubules. In order to study the different natures of protein-protein interactions we have developed statistical mechanics models in order to interpret the varied behavior of different protein systems. The main point will be to develop theoretical models that infer the time a length scales that characterize the dynamics of the systems analyzed. This approach seek to facilitate a connection to simulations and experiments, where a high resolution analysis in length and time is possible, since the theories can provide insights about the relevant time and length scales, and also about issues that can appear when studying these systems. The first system studied is monoclonal antibodies in solution. Antibody solutions deviate from the dynamical and rheological response expected for globular proteins, especially as volume fraction is increased. Experimental evidence shows that antibodies can reversibly bind to each other via F[subscript]ab and F[subscript]c domains, and form larger structures (clusters) of several antibodies. Here we present a microscopic equilibrium model to account for the distribution of cluster sizes. Antibody clusters are modeled as polymers that can grow via reversible bonds either between two F[subscript]ab domains or between a F[subscript]ab and a F[subscript]c. We propose that the dynamical and rheological behavior is determined by molecular entanglements of the clusters. This entanglement does not occur at low concentrations where antibody-antibody binding contributes to the viscosity by increasing the effective size of the particles. The model explains the observed shear-thinning behavior of antibody solutions. The second system is protein condensates inside living cells. Biomolecule condensates appear throughout the cell serving a wide variety of functions, but it is not clear how functional properties show in the concentrated network inside the condensate droplets. Here we model disordered proteins as linear polymers formed by "stickers" evenly spaced by "spacers". The spacing between stickers gives rise to different network toplogies inside the condensate droplet, determining distinguishing properties such us density and client binding. The third system is protein-protein binding in a salt solutions. Biomolecular simulations are typically performed in an aqueous environment where the number of ions remains fixed for the duration of the simulation, generally with a number of salt pairs intended to match the macroscopic salt concentration. In contrast, real biomolecules experience local ion environments where the salt concentration is dynamic and may differ from bulk. We develop a statistical mechanics model to account for fluctuations of ions concentrations, and study how it affects the free energy of protein-protein binding.

Protein Conformation

Author : Derek J. Chadwick
Publisher : John Wiley & Sons
ISBN 13 : 0470514159
Total Pages : 282 pages
Book Rating : 4.4/5 (75 download)

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Book Synopsis Protein Conformation by : Derek J. Chadwick

Download or read book Protein Conformation written by Derek J. Chadwick and published by John Wiley & Sons. This book was released on 2008-04-30 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt: How the amino acid sequence of a protein determines its three-dimensional structure is a major problem in biology and chemistry. Leading experts in the fields of NMR spectroscopy, X-ray crystallography, protein engineering and molecular modeling offer provocative insights into current views on the protein folding problem and various aspects for future progress.

Conformation in Biology and Drug Design

Author : Sidney Udenfriend
Publisher : Elsevier
ISBN 13 : 1483218007
Total Pages : 516 pages
Book Rating : 4.4/5 (832 download)

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Book Synopsis Conformation in Biology and Drug Design by : Sidney Udenfriend

Download or read book Conformation in Biology and Drug Design written by Sidney Udenfriend and published by Elsevier. This book was released on 2014-05-10 with total page 516 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Peptides: Analysis, Synthesis, Biology, Volume 7: Conformation in Biology and Drug Design focuses on the analysis of peptides, emphasizing the use of physical methods in peptide conformational analysis and the relationship of conformational properties of peptides to biological properties. This book consists of nine chapters. Chapter 1 provides a brief overview of the perspective on the application of physical methods to peptide conformational analysis. The use of circular dichroism (CD) spectroscopy to examine the conformational properties of peptides in solution is elaborated in Chapter 2, while the use of fluorescence spectroscopy to examine the special relationships of aromatic side-chain groups to one another is discussed in Chapter 3. In Chapter 4, the use of various theoretical methods to calculate the conformations of peptides is described. The methods used to stimulate peptide conformations and dynamics are outlined in Chapter 5. The last four chapters examine various aspects of the use of nuclear magnetic resonance (NMR) in peptide conformational analysis. This volume is suitable for biologists, specialists, and researchers interested in peptides and proteins.

Computational Methods for Protein Folding, Volume 120

Author : Richard A. Friesner
Publisher : John Wiley & Sons
ISBN 13 : 0471465232
Total Pages : 544 pages
Book Rating : 4.4/5 (714 download)

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Book Synopsis Computational Methods for Protein Folding, Volume 120 by : Richard A. Friesner

Download or read book Computational Methods for Protein Folding, Volume 120 written by Richard A. Friesner and published by John Wiley & Sons. This book was released on 2004-04-07 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since the first attempts to model proteins on a computer began almost thirty years ago, our understanding of protein structure and dynamics has dramatically increased. Spectroscopic measurement techniques continue to improve in resolution and sensitivity, allowing a wealth of information to be obtained with regard to the kinetics of protein folding and unfolding, and complementing the detailed structural picture of the folded state. Concurrently, algorithms, software, and computational hardware have progressed to the point where both structural and kinetic problems may be studied with a fair degree of realism. Despite these advances, many major challenges remain in understanding protein folding at both the conceptual and practical levels. Computational Methods for Protein Folding seeks to illuminate recent advances in computational modeling of protein folding in a way that will be useful to physicists, chemists, and chemical physicists. Covering a broad spectrum of computational methods and practices culled from a variety of research fields, the editors present a full range of models that, together, provide a thorough and current description of all aspects of protein folding. A valuable resource for both students and professionals in the field, the book will be of value both as a cutting-edge overview of existing information and as a catalyst for inspiring new studies. Computational Methods for Protein Folding is the 120th volume in the acclaimed series Advances in Chemical Physics, a compilation of scholarly works dedicated to the dissemination of contemporary advances in chemical physics, edited by Nobel Prize-winner Ilya Prigogine.

Thermodynamics and Statistical Mechanics of Macromolecular Systems

Author : Michael Bachmann
Publisher : Cambridge University Press
ISBN 13 : 1139915991
Total Pages : 359 pages
Book Rating : 4.1/5 (399 download)

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Book Synopsis Thermodynamics and Statistical Mechanics of Macromolecular Systems by : Michael Bachmann

Download or read book Thermodynamics and Statistical Mechanics of Macromolecular Systems written by Michael Bachmann and published by Cambridge University Press. This book was released on 2014-04-24 with total page 359 pages. Available in PDF, EPUB and Kindle. Book excerpt: The structural mechanics of proteins that fold into functional shapes, polymers that aggregate and form clusters, and organic macromolecules that bind to inorganic matter can only be understood through statistical physics and thermodynamics. This book reviews the statistical mechanics concepts and tools necessary for the study of structure formation processes in macromolecular systems that are essentially influenced by finite-size and surface effects. Readers are introduced to molecular modeling approaches, advanced Monte Carlo simulation techniques, and systematic statistical analyses of numerical data. Applications to folding, aggregation, and substrate adsorption processes of polymers and proteins are discussed in great detail. Particular emphasis is placed on the reduction of complexity by coarse-grained modeling, which allows for the efficient, systematic investigation of structural phases and transitions. Providing insight into modern research at this interface between physics, chemistry, biology, and nanotechnology, this book is an excellent reference for graduate students and researchers.

Lattice Models of Protein Folding, Dynamics, and Thermodynamics

Author : Andrzej Koliński
Publisher : Landes Bioscience
ISBN 13 :
Total Pages : 224 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Lattice Models of Protein Folding, Dynamics, and Thermodynamics by : Andrzej Koliński

Download or read book Lattice Models of Protein Folding, Dynamics, and Thermodynamics written by Andrzej Koliński and published by Landes Bioscience. This book was released on 1996 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Protein Structure Prediction

Author : David Webster
Publisher : Springer Science & Business Media
ISBN 13 : 1592593682
Total Pages : 425 pages
Book Rating : 4.5/5 (925 download)

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Book Synopsis Protein Structure Prediction by : David Webster

Download or read book Protein Structure Prediction written by David Webster and published by Springer Science & Business Media. This book was released on 2008-02-03 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: The number of protein sequences grows each year, yet the number of structures deposited in the Protein Data Bank remains relatively small. The importance of protein structure prediction cannot be overemphasized, and this volume is a timely addition to the literature in this field. Protein Structure Prediction: Methods and Protocols is a departure from the normal Methods in Molecular Biology series format. By its very nature, protein structure prediction demands that there be a greater mix of theoretical and practical aspects than is normally seen in this series. This book is aimed at both the novice and the experienced researcher who wish for detailed inf- mation in the field of protein structure prediction; a major intention here is to include important information that is needed in the day-to-day work of a research scientist, important information that is not always decipherable in scientific literature. Protein Structure Prediction: Methods and Protocols covers the topic of protein structure prediction in an eclectic fashion, detailing aspects of pred- tion that range from sequence analysis (a starting point for many algorithms) to secondary and tertiary methods, on into the prediction of docked complexes (an essential point in order to fully understand biological function). As this volume progresses, the authors contribute their expert knowledge of protein structure prediction to many disciplines, such as the identification of motifs and domains, the comparative modeling of proteins, and ab initio approaches to protein loop, side chain, and protein prediction.