Biomolecular Motions in Liquid and Solid State Investigated by NMR Relaxation and Molecular Dynamics PDF Download
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Author: Tobias Hans Bremi
Publisher:
ISBN:
Category :
Languages : en
Pages : 221
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Author: Tobias Hans Bremi
Publisher:
ISBN:
Category :
Languages : en
Pages : 221
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Author: Robert Michael John
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Author:
Publisher: Academic Press
ISBN: 0128167637
Category : Science
Languages : en
Pages : 546
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Book Description
Biological NMR, Part B, the latest release in the Methods of Enzymology series, highlights new advances in the field, with this new volume presenting interesting chapters on a variety of topics, including Protein methyl labeling, Membrane protein expression – yeast, Protein aromatic labeling, His-tag/Metal contamination, Bicelles, nanodiscs & micelles MP host, PTM – phosphorylation, PTM – lipidation, Screening platform for receptor-ligand discovery, Solution Spectroscopy, Large protein strategies, NUS data collection/analysis, F19 incl. hydration, ODNP - hydration, Reverse micelle - Hydration, Solid State Spectroscopy, SS NMR membrane proteins, SS NMR soluble/aggregate proteins, SS DNP - general, SS NMR nucleic acids, and much more. - Authoritative contributors - Protocols for state-of-the-art advances - Timeliness
Author: Andrew John Ilott
Publisher:
ISBN:
Category : Molecular dynamics
Languages : en
Pages :
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The ability to characterise dynamic processes in the solid state is crucial to our understanding of many important materials. Nuclear magnetic resonance (NMR) and molecular dynamics (MD) simulations are two, highly complementary techniques that can be used in this pursuit, with NMR providing robust measurements of kinetic parameters across a large range of time-scales while MD can give insight into the form that the motion takes. The aim of the work presented in this thesis has been to demonstrate the extent of this complementarity by combining both techniques to investigate interesting systems, and also to expand upon it by implementing extended time scale MD methods that allow slower dynamic processes to be accurately simulated. Atomistic simulations of a urea inclusion compound and of octafluoronaphthalene (OFN), a molecular solid, illustrate the dynamic range and complicated nature of motions that can be present in solid phases of matter, and the inherent difficulty of modeling them without explicit knowledge of their form. Whilst the MD simulation can provide this information, there are computational limits to the range of time-scales it can conventionally access. The OFN system provides an example of this limit, as slow molecular motions observed by NMR experiments are shown to be inaccessible to long, ambient temperature simulations. To combat this deficiency, the metadynamics extended time scale technique has been implemented, allowing rare dynamic events to be observed in very short simulations, and the effects of complex correlated motions to be explored.
Author: Amir Goldbourt
Publisher: Frontiers Media SA
ISBN: 2832517404
Category : Science
Languages : en
Pages : 216
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Author: Andrew J. Dingley
Publisher: IOS Press
ISBN: 1607506947
Category : Medical
Languages : en
Pages : 488
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Nuclear Magnetic Resonance (NMR) spectroscopy is the most powerful technique for characterization of biomolecular structures at atomic resolution in the solution state. This timely book, entitled "Biomolecular NMR Spectroscopy," focuses on the latest state-of-the-art NMR techniques for characterization of biological macromolecules in the solid and solution state. The editors, Dr. Andrew Dingley (University of Auckland, New Zealand) and Dr. Steven Pascal (Massey University, New Zealand) have organized the book into four sections, covering the following topics: sample preparation, structure and dynamics of proteins, structure and dynamics of nucleic acids and protein-nucleic acid complexes, and rapid and hybrid techniques--
Author: Monika Fuxreiter
Publisher: Springer Science & Business Media
ISBN: 1461406595
Category : Medical
Languages : en
Pages : 210
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Detailed characterization of fuzzy interactions will be of central importance for understanding the diverse biological functions of intrinsically disordered proteins in complex eukaryotic signaling networks. In this volume, Peter Tompa and Monika Fuxreiter have assembled a series of papers that address the issue of fuzziness in molecular interactions. These papers provide a broad overview of the phenomenon of fuzziness and provide compelling examples of the central role played by fuzzy interactions in regulation of cellular signaling processes and in viral infectivity. These contributions summarize the current state of knowledge in this new field and will undoubtedly stimulate future research that will further advance our understanding of fuzziness and its role in biomolecular interactions.
Author: A.J. Barnes
Publisher: Springer Science & Business Media
ISBN: 9400964633
Category : Science
Languages : en
Pages : 594
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Book Description
This ASI was planned to make a major contribution to the teaching of the principles and methods used in liquid phase ~esearch and to encourage the setting up of collaborative projects, as advocated by the European Molecular Liquids Group (secretary: Dr J. Yarwood, University of Durham, U. K. ). During the past five years considerable progress has been made in studying molecular liquids. The undoubted advantages of international collaboration led to the formation of the European Molecular Liquids Group (EMLG) in July 1981. The activities of the EMLG were widely disseminated in a special session of the European Congress on Molecular Spectroscopy (EUCMOS) held in September 1981 (for details, see J. Mol. Structure, 80 (1982) 375 - 421). Following the success of this meeting, it was thought that the aims and objectives of the E~G would be best served by the organisation of a broader-based gathering designed to attract those interested in the study of the structure, dynamics and interactions in the liquid state. Thanks to the generous support by the Scientific Affairs Division of NATO, it was possible to hold a NATO ASI on Molecular Liquids at the Italian Centre of Stanford University, Florence, Italy during June-July 1983. This book is based on the lectures presented at that meeting. The contents of this volume cover the three broad areas of current liquid phase research: (a) Analytical theory.
Author: José Teixeira
Publisher: Springer Science & Business Media
ISBN: 9401128324
Category : Science
Languages : en
Pages : 570
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Book Description
In its combination of an advanced teaching standpoint with an emphasis on new perspectives and recent advances in the study of liquids formed by simple molecules, Molecular Liquids: New Perspectives in Physics and Chemistry provides a clear, understandable guide through the complexities of the subject. A wide range of topics is covered in the areas of intermolecular forces, statistical mechanics, the microscopic dynamics of simple liquids, thermodynamics of solutions, nonequilibrium molecular dynamics, molecular models for transport and relaxation in fluids, liquid simulations, statistical band shape theories, conformational studies, fast-exchange dynamics, and hydrogen bonding. The experimental techniques covered include: neutron scattering, X-ray diffraction, IR, Raman, NMR, quasielastic neutron scattering, and high-precision, time-resolved coherent Raman spectroscopy.
Author: Scott D. Kennedy
Publisher:
ISBN:
Category :
Languages : en
Pages : 286
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