Structure And Dynamics Of Biomolecules

Biomolecular Structure and Dynamics describes recent fundamental advances in the experimental and theoretical study of molecular dynamics and stochastic dynamic simulations, X-ray crystallography and NMR of biomolecules, the structure of proteins and its prediction, time resolved Fourier transform IR spectroscopy of biomolecules, the computation of free energy, applications of vibrational CD of nucleic acids, and solid state NMR. Further presentations include recent advances in UV resonance Raman spectroscopy of biomolecules, semiempirical MO methods, empirical force fields, quantitative studies of the structure of proteins in water by Fourier transform IR, and density functional theory. Metal-ligand interactions, DFT treatment of organometallic and biological systems, and simulation vs. X-ray and far IR experiments are also discussed in some detail. The book provides a broad perspective of the current theoretical aspects and recent experimental findings in the field of biomolecular dynamics, revealing future research trends, especially in areas where theoreticians and experimentalists could fruitfully collaborate.

This book provides a comprehensive overview of modern computer-based techniques for analyzing the structure, properties and dynamics of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second one with applications of molecular simulations; the third one introduces bioinformatics methods and the use of experimental information in molecular simulations; the last part reports on selected applications of molecular quantum mechanics. This second edition has been thoroughly revised and updated to include the latest progresses made in the respective field of research.

This is a collection of papers presented and discussed at the first EBSA workshop held at Saltsj6baden outside stockholm in Sweden, July 6-10, 1986. The common theme of these papers is dynamics of biomolecules, and how the dynamics depends on the molecular structure and organi zation, and connects to and determines the biological function. This is a rapidly expanding field of research which combines many different aspects of molecular bio physics. Much material is new and presented for the first time. Even if the work so far has been of the kind that is usually called basic research, practical applications are clearly indicated in some articles, and are waiting around the corner in several other cases. At the workshop only one third of the time was used for the formal presentations and two thirds for discussion. To this should also be added discussions during the poster sessions. During these lively and unrecorded discussions fresh viewpoints emerged and new ideas were created. Ad mittedly, our knowledge at present is only fragmentary but when pieces of the puzzle are brought together at a workshop or in a publication of this kind more extended and sometimes unexpected contours and shapes become vi sible. It is our hope that this rapid publication of camera-ready manuscripts will transfer some of the spi rit at the workshop to the reader, and in his or her institute or laboratory initiate further discussions, bring forward more ideas and start new experimental ap roaches.

Biomolecular Structure and Function covers the proceedings of the 1977 ?Cellular Function and Molecular Structure: Biophysical Approaches to Biological Problems? symposium. It summarizes the application of several biophysical techniques to molecular research in biology. This book starts by describing the use of deuterium-labeled lipids, as monitors of the degree of organization of membrane lipids. It also describes the use of carbon-13-labeled lipids, as indicators of molecular mobility. It explains the lipid-protein interactions involving two integral membrane proteins, mitochondrial cytochrome oxidase and calcium-dependent ATPase of muscle sarcoplasmic reticulum. The book goes on to present NMR studies on the organization and conformation of phospholipids, chloroplast membranes, and erythrocyte membranes. It also presents the ESR study of spectrin-phospholipid associations. It discusses the use of fluorescence probes, electrokinetics, neutron diffraction and ion theory studies of phospholipid-protein association, hormone disease, and senescence effects on prokaryotic and eukaryotic cells. Moreover, this book presents the experiments and phosphorus-31 NMR methodology to simultaneously monitor the intracellular pH and phosphate metabolism in a beating heart, functioning kidney, or an intact living microorganism. This book then describes physical probing of intracellular fluidity and structural changes attending tissue or cell cycles. It also relates relatively narrow lines in the hydrogen-1 NMR spectrum of the extremely viscous complex of the muscle protein troponin and highly polymerized tropomyosin. Structure-function studies of fibrous proteins, such as collagen, actin, and myosin, and active site analysis of enzymes are also presented. Finally, a wide variety of methodologies and technologies is exemplified. This includes proton, carbon, fluorine, phosphorus, and lithium NMR spectroscopy; spin labeling and EPR spectroscopy; chemical studies; light scattering and fluorescence; and electron microscopy.

A collection of articles looking at modern structural biology, summarizing the applications of physical methods - such as x-ray diffraction, high resolution nuclear magnetic resonance and molecular dynamics - to the study of protein structure and dynamics. There is a review of contemporary thoughts within the field, looking at the mechanisms of alloateric transitions and allosteric control, the transmission of information within protein structures and the role of dynamics in determining the specificity of protein - ligand interactions. There is also a look at future innovations.

This book provides a comprehensive overview of modern computer-based techniques for analyzing the structure, properties and dynamics of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second one with applications of molecular simulations; the third one introduces bioinformatics methods and the use of experimental information in molecular simulations; the last part reports on selected applications of molecular quantum mechanics. This second edition has been thoroughly revised and updated to include the latest progresses made in the respective field of research.

The definitive guide to mass spectrometry techniques in biology and biophysics The use of mass spectrometry (MS) to study the architecture and dynamics of proteins is increasingly common within the biophysical community, and Mass Spectrometry in Structural Biology and Biophysics: Architecture, Dynamics, and Interaction of Biomolecules, Second Edition provides readers with detailed, systematic coverage of the current state of the art. Offering an unrivalled overview of modern MS-based armamentarium that can be used to solve the most challenging problems in biophysics, structural biology, and biopharmaceuticals, the book is a practical guide to understanding the role of MS techniques in biophysical research. Designed to meet the needs of both academic and industrial researchers, it makes mass spectrometry accessible to professionals in a range of fields, including biopharmaceuticals. This new edition has been significantly expanded and updated to include the most recent experimental methodologies and techniques, MS applications in biophysics and structural biology, methods for studying higher order structure and dynamics of proteins, an examination of other biopolymers and synthetic polymers, such as nucleic acids and oligosaccharides, and much more. Featuring high-quality illustrations that illuminate the concepts described in the text, as well as extensive references that enable the reader to pursue further study, Mass Spectrometry in Structural Biology and Biophysics is an indispensable resource for researchers and graduate students working in biophysics, structural biology, protein chemistry, and related fields.

Advanced Spectroscopic Methods to Study Biomolecular Structure and Dynamics presents the latest emerging technologies in spectroscopy and advances in established spectroscopic methods. The book presents a guide to research methods in biomolecular spectroscopy, providing comprehensive coverage of developments in the spectroscopic techniques used to study protein structure and dynamics. Seventeen chapters from leading researchers cover key aspects of spectroscopic methods, with each chapter covering structure, folding, and dynamics. This title will help researchers keep up-to-date on the latest novel methods and advances in established methods. Presents current, emerging, and evolving advances and applications of spectroscopic techniques in the study of biomolecules, including proteins and nucleic acids Discusses contemporary spectroscopic techniques used to study biomolecular structure, interaction, and dynamics