Fundamental Principles Of Molecular Modeling
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Fundamental Principles Of Molecular Modeling
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Author : Anton Amann
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-06-29
Fundamental Principles Of Molecular Modeling written by Anton Amann and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-06-29 with Science categories.
Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently been recognized as a major contributor to our understanding of molecular properties. Advanced approaches to molecular similarity analysis have their foundation in quantum similarity measures, and are important direct or indirect contributors to some of the predictive theoretical, computational, and also experimental methods of modern chemistry. This volume provides a survey of the foundations and the contemporary mathematical and computational methodologies of molecular similarity approaches, where special emphasis is given to applications of similarity studies to a range of practical and industrially significant fields, such as pharmaceutical drug design. The authors of individual chapters are leading experts in various sub-fields of molecular similarity analysis and the related fundamental theoretical chemistry topics, as well as the relevant computational and experimental methodologies. Whereas in each chapter the emphasis is placed on a different area, nevertheless, the overall coverage and the wide scope of the book provides the reader with a general yet sufficiently detailed description that may serve as a good starting point for new studies and applications of molecular similarity approaches. The editors of this volume are grateful to the authors for their contributions, and hope that the readers will find this book a useful and motivating source of information in the rapidly growing field of molecular similarity analysis.
Molecular Modeling
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Author : Hans-Dieter Höltje
language : en
Publisher: John Wiley & Sons
Release Date : 2008-07-11
Molecular Modeling written by Hans-Dieter Höltje and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-07-11 with Science categories.
Written by experienced experts in molecular modeling, this books describes the basics to the extent that is necessary if one wants to be able to reliably judge the results from molecular modeling calculations. Its main objective is the description of the various pitfalls to be avoided. Without unnecessary overhead it leads the reader from simple calculations on small molecules to the modeling of proteins and other relevant biomolecules. A textbook for beginners as well as an invaluable reference for all those dealing with molecular modeling in their daily work!
Molecular Modeling
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Author : Hans-Dieter Höltje
language : en
Publisher:
Release Date : 2003
Molecular Modeling written by Hans-Dieter Höltje and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003 with Biomolecules categories.
Fundamentals Of Membrane Separation Technology
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Author : Zhan Wang
language : en
Publisher: Elsevier
Release Date : 2024-01-23
Fundamentals Of Membrane Separation Technology written by Zhan Wang and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-01-23 with Technology & Engineering categories.
Fundamentals of Membrane Separation Technology provides a comprehensive and systematic introduction to this environmentally friendly separation process. Using a structured format that promotes comprehension and implementation each chapter provides overviews, principles, materials and preparation, and industrial applications. Each chapter then concludes with future prospects, references, and end of chapter exercises. Written for students and professionals, this book is an ideal reference for those who wish to better understand the fundamentals and applications of membrane technology. - Evaluates present and future applications of more recently developed membranes in energy conversion, biomedical components, controlled release devices, and environmental engineering - Provides a comprehensive overview of all aspects of membranes and their applications - Includes numerous industrial case studies, practical examples, and questions
Concepts And Experimental Protocols Of Modelling And Informatics In Drug Design
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Author : Om Silakari
language : en
Publisher: Academic Press
Release Date : 2020-11-05
Concepts And Experimental Protocols Of Modelling And Informatics In Drug Design written by Om Silakari and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-11-05 with Medical categories.
Concepts and Experimental Protocols of Modelling and Informatics in Drug Design discusses each experimental protocol utilized in the field of bioinformatics, focusing especially on computer modeling for drug development. It helps the user in understanding the field of computer-aided molecular modeling (CAMM) by presenting solved exercises and examples. The book discusses topics such as fundamentals of molecular modeling, QSAR model generation, protein databases and how to use them to select and analyze protein structure, and pharmacophore modeling for drug targets. Additionally, it discusses data retrieval system, molecular surfaces, and freeware and online servers. The book is a valuable source for graduate students and researchers on bioinformatics, molecular modeling, biotechnology and several members of biomedical field who need to understand more about computer-aided molecular modeling. - Presents exercises with solutions to aid readers in validating their own protocol - Brings a thorough interpretation of results of each exercise to help readers compare them to their own study - Explains each parameter utilized in the algorithms to help readers understand and manipulate various features of molecules and target protein to design their study
Fundamentals Of Crystallography
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Author : Carmelo Giacovazzo
language : en
Publisher: Oxford University Press, USA
Release Date : 2002
Fundamentals Of Crystallography written by Carmelo Giacovazzo and has been published by Oxford University Press, USA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002 with Science categories.
In recent years crystallographic techniques have found applications in a wide range of subjects, and these applications in turn have led to exciting developments in the field of crystallography itself. This completely revised text offers a rigorous treatment of the theory and describes experimental applications in many fields: crystal symmetry, crystallographic computing, X-ray diffraction, crystal structure solution, mineral and inorganic crystal chemistry, protein crystallography, crystallography of real crystals, and crystal physics. A set of pedagogical tools on CD-ROM has been added to this new edition.
Molecular Modeling Of Inorganic Compounds
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Author : Peter Comba
language : en
Publisher: John Wiley & Sons
Release Date : 2009-07-10
Molecular Modeling Of Inorganic Compounds written by Peter Comba and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-07-10 with Science categories.
After the second edition introduced first density functional theory aspects, this third edition expands on this topic and offers unique practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been completely revised and uses the very latest software, a full version of which is enclosed on CD, allowing readers to carry out their own initial experiments with forcefield calculations in organometal and complex chemistry.
Fundamentals And Practice In Statistical Thermodynamics
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Author : Jianzhong Wu
language : en
Publisher: John Wiley & Sons
Release Date : 2024-08-20
Fundamentals And Practice In Statistical Thermodynamics written by Jianzhong Wu and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-08-20 with Technology & Engineering categories.
Bridge the gap between thermodynamic theory and engineering practice with this essential textbook Thermodynamics is a discipline which straddles the fields of chemistry, physics, and engineering, and has long been a mainstay of undergraduate and graduate curricula. Conventional thermodynamics courses, however, often ignore modern developments in statistical mechanics, such as molecular simulation methods, cooperative phenomena, phase transitions, universality, as well as liquid-state and polymer theories, despite their close relevance to both fundamental research and engineering practice. Fundamentals and Practice in Statistical Thermodynamics fills this gap with an essential book that applies up-to-date statistical-mechanical techniques to address the most crucial thermodynamics problems found in chemical and materials systems. It is ideally suited to introduce a new generation of researchers and molecular engineers to modern thermodynamic topics with numerous cutting-edge applications. From Fundamentals and Practice in Statistical Thermodynamics readers will also find: An introduction to statistical-mechanical methods including molecular dynamics simulation, Monte Carlo simulation, as well as the molecular theories of phase transitions, classical fluids, electrolyte solutions, polymeric materials, and more Illustrative examples and exercise problems with solutions to facilitate student understanding Supplementary online materials covering the basics of quantum mechanics, density functional theory, variational principles of classical mechanics, intermolecular interactions, and many more subjects Fundamentals and Practice in Statistical Thermodynamics is ideal for graduate and advanced undergraduate students in chemical engineering, biomolecular engineering, environmental engineering, materials science and engineering, and all related scientific subfields of physics and chemistry.
Molecular Modeling And Simulation An Interdisciplinary Guide
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Author : Tamar Schlick
language : en
Publisher: Springer Science & Business Media
Release Date : 2010-08-03
Molecular Modeling And Simulation An Interdisciplinary Guide written by Tamar Schlick and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-08-03 with Mathematics categories.
Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text
Dna Molecular Models
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Author : Fouad Sabry
language : en
Publisher: One Billion Knowledgeable
Release Date : 2025-03-14
Dna Molecular Models written by Fouad Sabry and has been published by One Billion Knowledgeable this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-03-14 with Science categories.
The book "DNA Molecular Models," part of the "DNA Nanotechnology" series, delves into the world of DNA structure, offering both theoretical and practical insights. This comprehensive guide examines crucial aspects of DNA, providing key insights into how molecular models shape our understanding of nucleic acids and their application in the rapidly advancing field of DNA nanotechnology. Whether you're a professional, student, or enthusiast, this book offers a fascinating exploration of the intricate world of DNA structures. Chapters Brief Overview: 1: Molecular models of DNA: Introduces the foundational concepts of DNA's molecular structures, setting the stage for further exploration. 2: DNA base flipping: Explores how base flipping affects DNA functionality and its implications in nanotechnology. 3: Nucleic acid structure determination: Discusses methods used to determine nucleic acid structures, focusing on their importance in research. 4: Raymond Gosling: Highlights the contributions of Raymond Gosling in uncovering DNA's structure, crucial for scientific progress. 5: DNA nanotechnology: An introduction to the revolutionary field of DNA nanotechnology and its potential applications. 6: Structural biology: Offers insights into the relationship between the structure and function of biological molecules. 7: DNA: Examines the basic building blocks and unique features of DNA, providing a deeper understanding of its role in molecular biology. 8: Obsolete models of DNA structure: Looks at earlier DNA models and how they were eventually replaced by more accurate representations. 9: Alec Stokes: Focuses on Alec Stokes' contributions to understanding DNA, emphasizing his legacy in modern molecular biology. 10: Molecular Structure of Nucleic Acids: A Structure for Deoxyribose Nucleic Acid: Discusses Watson and Crick's pivotal model of DNA structure, foundational to molecular biology. 11: Structural chemistry: Investigates the chemical principles that govern the structure of nucleic acids and their molecular interactions. 12: Nuclear magnetic resonance spectroscopy of nucleic acids: Explores how NMR spectroscopy is used to study nucleic acid structures and dynamics. 13: Structural bioinformatics: Highlights the role of computational tools in modeling and predicting nucleic acid structures. 14: Hoogsteen base pair: Describes the Hoogsteen base pairing and its relevance to the study of DNA and RNA structures. 15: Nucleic acid double helix: Discusses the iconic doublehelix structure of DNA and its significance in molecular biology. 16: Nucleic acid secondary structure: Examines the various secondary structures of nucleic acids, essential for their function. 17: Maurice Wilkins: Focuses on Maurice Wilkins' contributions to the discovery of DNA's structure and his role in science. 18: Biomolecular structure: Explores how the structure of biomolecules like DNA determines their biological function. 19: Nucleic acid tertiary structure: Investigates the higherorder folding of nucleic acids and their biological significance. 20: History of molecular biology: Provides a historical perspective on how molecular biology emerged and its evolution. 21: Francis Crick: Details Francis Crick's groundbreaking contributions to molecular biology, particularly in DNA research. The book provides an accessible yet comprehensive look at DNA models and their connection to nanotechnology, making it an essential read for anyone interested in the future of molecular biology and nanotechnology.