Author: Maksim Skorobogatiy
Publisher:
ISBN:
Category :
Languages : en
Pages : 292
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Book Description
"My thesis is organized as follows. First, I introduce a general overview on the nature of real proteins. Then I address the thermodynamics of proteins and how one can model it. After that I introduce a microscopic model for proteins and I discuss the reasons for its construction. After a thorough theoretical investigation of this model I make several predictions for its thermodynamic and dynamic behavior. I then introduce a dynamics for protein folding, including a master equation approach for the description of protein kinetics. Using the protein thermodynamics introduced earlier I implement some extensive Monte-Carlo computer calculation to elucidate the non Arrhenius modes in the protein folding. A mesoscopic model of the hierarchically constrained dynamics will be introduced after that to account for the observed behavior. Finally, I investigate an abstract but exactly solvable model which could serve as a cornerstone for the dream of protein designers---an ultimately fast folding protein. (Abstract shortened by UMI.)" --
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Author: Ron Elber
Publisher: World Scientific
ISBN: 9789810221966
Category : Science
Languages : en
Pages : 422
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Book Description
Experts provide a unique and broad perspective of the theoretical tools available today to analyze protein structure and function. Topics at the frontier of computational biophysics, such as dynamics and thermodynamics of proteins, reaction path studies, optimization techniques, analytical theories of protein folding, sequence alignment algorithms and electrostatics of proteins are discussed in a pedagogical and complete way. Those entering the field will find the book to be a useful introduction. It will also serve as a complementary text to existing ones that focus on just one of the above subjects.
Author: Charles L. Brooks
Publisher: John Wiley & Sons
ISBN: 0470141816
Category : Science
Languages : en
Pages : 278
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Book Description
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.
Author: Ron Elber
Publisher: World Scientific
ISBN: 9814500720
Category :
Languages : en
Pages : 411
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Book Description
Experts provide a unique and broad perspective of the theoretical tools available today to analyze protein structure and function. Topics at the frontier of computational biophysics, such as dynamics and thermodynamics of proteins, reaction path studies, optimization techniques, analytical theories of protein folding, sequence alignment algorithms and electrostatics of proteins are discussed in a pedagogical and complete way. Those entering the field will find the book to be a useful introduction. It will also serve as a complementary text to existing ones that focus on just one of the above subjects.
Author: Jian-min Yuan
Publisher: World Scientific
ISBN: 9813202394
Category : Science
Languages : en
Pages : 327
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Book Description
This book reviews current research on the important processes involved in neurodegenerative diseases (e.g. Alzheimer's disease) and the peptides and proteins involved in the amyloidogenic processes. It covers the design and developments of anti-amyloid inhibitors, and gives readers a fundamental understanding of the underlying oligomerization and aggregation processes of these diseases from both computational and experimental points of view.
Author:
Publisher:
ISBN:
Category : Medicine
Languages : en
Pages : 1060
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Book Description
Author:
Publisher: Academic Press
ISBN: 0128211350
Category : Science
Languages : en
Pages : 552
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Book Description
Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly, Volume 170 in the Progress in Molecular Biology and Translational Science series, provides the most topical, informative and exciting monographs available on a wide variety of research topics. The series includes in-depth knowledge on the molecular biological aspects of organismal physiology, with this release including chapters on Pairwise-Additive and Polarizable Atomistic Force Fields for Molecular Dynamics Simulations of Proteins, Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers, Enhanced sampling and free energy methods, and much more. Includes comprehensive coverage on molecular biology Presents ample use of tables, diagrams, schemata and color figures to enhance the reader's ability to rapidly grasp the information provided Contains contributions from renowned experts in the field
Author: Prof. Jan Hermans
Publisher: John Wiley & Sons
ISBN: 1118733770
Category : Science
Languages : en
Pages : 411
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Book Description
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.
Author: György Keserü
Publisher: John Wiley & Sons
ISBN: 3527673059
Category : Medical
Languages : en
Pages : 360
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Book Description
This practical reference for medicinal and pharmaceutical chemists combines the theoretical background with modern methods as well as applications from recent lead finding and optimization projects. Divided into two parts on the thermodynamics and kinetics of drug-receptor interaction, the text provides the conceptual and methodological basis for characterizing binding mechanisms for drugs and other bioactive molecules. It covers all currently used methods, from experimental approaches, such as ITC or SPR, right up to the latest computational methods. Case studies of real-life lead or drug development projects are also included so readers can apply the methods learned to their own projects. Finally, the benefits of a thorough binding mode analysis for any drug development project are summarized in an outlook chapter written by the editors.
