Multi-scale Quantum Models for Biocatalysis

Multi-scale Quantum Models for Biocatalysis
Author: Darrin M. York
Publisher: Springer Science & Business Media
Total Pages: 426
Release: 2009-05-30
Genre: Science
ISBN: 1402099568

“Multi-scale Quantum Models for Biocatalysis” explores various molecular modelling techniques and their applications in providing an understanding of the detailed mechanisms at play during biocatalysis in enzyme and ribozyme systems. These areas are reviewed by an international team of experts in theoretical, computational chemistry, and biophysics. This book presents detailed reviews concerning the development of various techniques, including ab initio molecular dynamics, density functional theory, combined QM/MM methods, solvation models, force field methods, and free-energy estimation techniques, as well as successful applications of multi-scale methods in the biocatalysis systems including several protein enzymes and ribozymes. This book is an excellent source of information for research professionals involved in computational chemistry and physics, material science, nanotechnology, rational drug design and molecular biology and for students exposed to these research areas.

Advancing Methods for Biomolecular Crystallography

Advancing Methods for Biomolecular Crystallography
Author: Randy Read
Publisher: Springer
Total Pages: 360
Release: 2013-04-03
Genre: Science
ISBN: 9400762321

This work presents a snapshot of the state of the art of modern biomolecular crystallography, from crystallisation through structure determination and even interactive presentation on the web. Methods driving the latest automated structure determination pipelines are explained, as well as how to deal with problems such as crystal pathologies that still demand expert analysis. These methods are illustrated through their application to problems of great biological interest, such as the molecular machinery underlying the complement pathway, the mechanism of action of monoamine oxidase inhibitors, and the structure of the eukaryotic ribosome. Complementary approaches, such as neutron diffraction, small angle X-ray scattering, coherent diffraction and computational modelling, are also explored.

Direct Methods for Solving Macromolecular Structures

Direct Methods for Solving Macromolecular Structures
Author: S. Fortier
Publisher: Springer Science & Business Media
Total Pages: 505
Release: 2013-06-29
Genre: Science
ISBN: 9401590931

This book of the proceedings of the 1997 NATO Advanced Study Institute (ASI) on Direct Methods for Solving Macromolecular Structures was assembled from the lecturers' contributions and represents a comprehensive and in-depth overview of crystallographic structure determination methods for macromolecules. While having a focus based on the direct methods, the Institute adopted an inclusive and broad perspective. Thus, both direct and experimental phasing techniques are presented in this book, highlighting their complementarities and synergies. As weil, methodologies spanning the full crystallographic image reconstruction process - from low resolution envelope definition to high resolution atomic refinement- are discussed. The first part of the book introduces the array of tools currently used in structure determination, whether originating from a mathematical, computational or experimental framework. This section of the book displays the variety and ingenuity of old and new phasing approaches developed to solve increasingly complex structures. Some of the contributions focus on recent developments and/or implementations that have given older approaches a new life. A case in point is the re-implementation of Buerger's superposition approach, which is now solving protein structures. Another beautiful example is found in the introduction to the traditional multiple isomorphous replacement approach where new techniques, such as site-directed mutagenesis and the use of inert gases in the preparation of heavy atom derivatives, are described. Equally impressive are the presentations of newer approaches, which take advantage of advances on the experimental front (e. g.

Comprehensive Biophysics

Comprehensive Biophysics
Author:
Publisher: Academic Press
Total Pages: 3533
Release: 2012-04-12
Genre: Science
ISBN: 0080957188

Biophysics is a rapidly-evolving interdisciplinary science that applies theories and methods of the physical sciences to questions of biology. Biophysics encompasses many disciplines, including physics, chemistry, mathematics, biology, biochemistry, medicine, pharmacology, physiology, and neuroscience, and it is essential that scientists working in these varied fields are able to understand each other's research. Comprehensive Biophysics, Nine Volume Set will help bridge that communication gap. Written by a team of researchers at the forefront of their respective fields, under the guidance of Chief Editor Edward Egelman, Comprehensive Biophysics, Nine Volume Set provides definitive introductions to a broad array of topics, uniting different areas of biophysics research - from the physical techniques for studying macromolecular structure to protein folding, muscle and molecular motors, cell biophysics, bioenergetics and more. The result is this comprehensive scientific resource - a valuable tool both for helping researchers come to grips quickly with material from related biophysics fields outside their areas of expertise, and for reinforcing their existing knowledge. Biophysical research today encompasses many areas of biology. These studies do not necessarily share a unique identifying factor. This work unites the different areas of research and allows users, regardless of their background, to navigate through the most essential concepts with ease, saving them time and vastly improving their understanding The field of biophysics counts several journals that are directly and indirectly concerned with the field. There is no reference work that encompasses the entire field and unites the different areas of research through deep foundational reviews. Comprehensive Biophysics fills this vacuum, being a definitive work on biophysics. It will help users apply context to the diverse journal literature offering, and aid them in identifying areas for further research Chief Editor Edward Egelman (E-I-C, Biophysical Journal) has assembled an impressive, world-class team of Volume Editors and Contributing Authors. Each chapter has been painstakingly reviewed and checked for consistent high quality. The result is an authoritative overview which ties the literature together and provides the user with a reliable background information and citation resource

Biophysical Chemistry

Biophysical Chemistry
Author: Dagmar Klostermeier
Publisher: CRC Press
Total Pages: 770
Release: 2018-01-02
Genre: Medical
ISBN: 1482252244

Biophysical Chemistry explores the concepts of physical chemistry and molecular structure that underlie biochemical processes. Ideally suited for undergradate students and scientists with backgrounds in physics, chemistry or biology, it is also equally accessible to students and scientists in related fields as the book concisely describes the fundamental aspects of biophysical chemistry, and puts them into a biochemical context. The book is organized in four parts, covering thermodynamics, kinetics, molecular structure and stability, and biophysical methods. Cross-references within and between these parts emphasize common themes and highlight recurrent principles. End of chapter problems illustrate the main points explored and their relevance for biochemistry, enabling students to apply their knowledge and to transfer it to laboratory projects. Features: Connects principles of physical chemistry to biochemistry Emphasizes the role of organic reactions as tools for modification and manipulation of biomolecules Includes a comprehensive section on the theory of modern biophysical methods and their applications

Crystal Structure Refinement

Crystal Structure Refinement
Author: Peter Muller
Publisher: Oxford University Press, USA
Total Pages: 232
Release: 2006-07-13
Genre: Science
ISBN: 0198570767

Accompanying CD-ROM contains all the files necessary to reproduce the refinements covered in the text.

Macromolecular Crystallography

Macromolecular Crystallography
Author: Charles W. Carter
Publisher: Gulf Professional Publishing
Total Pages: 754
Release: 1997
Genre: Computer simulation
ISBN: 9780121827779

Annotation Accurate molecular structures is vital for rational drug design and for structure based functional studies directed toward the development of effective therapeutic agents and drugs. Crystallography can reliably predict structure, both in terms of folding and atomic details of bonding. * Phases * Map interpretation and refinement * Analysis and software.

Aspartic Proteinases

Aspartic Proteinases
Author: Michael N.G. James
Publisher: Springer Science & Business Media
Total Pages: 484
Release: 2012-12-06
Genre: Science
ISBN: 1461553733

The VIIth International Conference on Aspartic Proteinases was held in Banff, Alberta, Canada, from October 22 to 27, 1996. The venue was the Banff Centre in the Canadian Rockies, a setting well known worldwide for the scenic beauty and mountain grandeur. It was perhaps presumptuous of the organizers to call this the seventh Aspartic Proteinase Conference but it was felt that the meeting in 1982, organized by Tom Blundell and John Kay, was of an international stature and covered topics sufficiently broad to constitute a conference. Thus, there is a discontinuity in that the Gifu Conference organized by Prof. Kenji Takahashi was the fifth International Conference on Aspartic Proteinases. Officially, there has not been a sixth Conference and if there is confusion, it is the result of my desire to recognize the importance of the London meeting. Banffhosted 106 scientists from 14 different countries. There were 26 invited speak ers among the 44 oral presentations of the 7 main sessions. In addition, there were 53 con tributed poster presentations that spanned the whole range of interest in aspartic proteinases.