Searching for Molecular Solutions

Searching for Molecular Solutions

Author: Ian S. Dunn

Publisher: John Wiley & Sons

Published: 2010-01-05

Total Pages: 480

ISBN-13: 0470551445

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A comprehensive look at empirical approaches to molecular discovery, their relationships with rational design, and the future of both Empirical methods of discovery, along with serendipitous and rational design approaches, have played an important role in human history. Searching for Molecular Solutions compares empirical discovery strategies for biologically useful molecules with serendipitous discovery and rational design, while also considering the strengths and limitations of empirical pathways to molecular discovery. Logically arranged, this text examines the different modes of molecular discovery, empha-sizing the historical and ongoing importance of empirical strategies. Along with a broad overview of the subject matter, Searching for Molecular Solutions explores: The differing modes of molecular discovery Biological precedents for evolutionary approaches Directed evolutionary methods and related areas Enzyme evolution and design Functional nucleic acid discovery Antibodies and other recognition molecules General aspects of molecular recognition Small molecule discovery approaches Rational molecular design The interplay between empirical and rational strategies and their ongoing roles in the future of molecular discovery Searching for Molecular Solutions covers several major areas of modern research, development, and practical applications of molecular sciences. This text offers empirical-rational principles of broad relevance to scientists, professionals, and students interested in general aspects of molecular discovery, as well as the thought processes behind experimental approaches.


Molecular Theory of Solutions

Molecular Theory of Solutions

Author: Arieh Ben-Naim

Publisher: Oxford University Press

Published: 2006-07-27

Total Pages: 399

ISBN-13: 0199299692

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This book presents new and updated developments in the molecular theory of mixtures and solutions. It is based on the theory of Kirkwood and Buff which was published more than fifty years ago. This theory has been dormant for almost two decades. It has recently become a very powerful and general tool to analyze, study and understand any type of mixtures from the molecular, or the microscopic point of view. The traditional approach to mixture has been, for many years, based on the study of excess thermodynamic quantities. This provides a kind of global information on the system. The new approach provides information on the local properties of the same system. Thus, the new approach supplements and enriches our information on mixtures and solutions.


Beyond the Molecular Frontier

Beyond the Molecular Frontier

Author: National Research Council

Publisher: National Academies Press

Published: 2003-03-19

Total Pages: 238

ISBN-13: 0309168392

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Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.


The Potential Distribution Theorem and Models of Molecular Solutions

The Potential Distribution Theorem and Models of Molecular Solutions

Author: Tom L. Beck

Publisher: Cambridge University Press

Published: 2006-08-31

Total Pages: 246

ISBN-13: 9780521822152

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This book was first published in 2006. An understanding of statistical thermodynamic molecular theory is fundamental to the appreciation of molecular solutions. This complex subject has been simplified by the authors with down-to-earth presentations of molecular theory. Using the potential distribution theorem (PDT) as the basis, the text provides a discussion of practical theories in conjunction with simulation results. The authors discuss the field in a concise and simple manner, illustrating the text with useful models of solution thermodynamics and numerous exercises. Modern quasi-chemical theories that permit statistical thermodynamic properties to be studied on the basis of electronic structure calculations are given extended development, as is the testing of those theoretical results with ab initio molecular dynamics simulations. The book is intended for students taking up research problems of molecular science in chemistry, chemical engineering, biochemistry, pharmaceutical chemistry, nanotechnology and biotechnology.


Molecular Thermodynamics Of Electrolyte Solutions (Second Edition)

Molecular Thermodynamics Of Electrolyte Solutions (Second Edition)

Author: Lloyd L Lee

Publisher: World Scientific

Published: 2021-01-07

Total Pages: 295

ISBN-13: 9811233012

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Electrolytes and salt solutions are ubiquitous in chemical industry, biology and nature. This unique compendium introduces the elements of the solution properties of ionic mixtures. In addition, it also serves as a bridge to the modern researches into the molecular aspects of uniform and non-uniform charged systems. Notable subjects include the Debye-Hückel limit, Pitzer's formulation, Setchenov salting-out, and McMillan-Mayer scale. Two new chapters on industrial applications — natural gas treating, and absorption refrigeration, are added to make the book current and relevant.This textbook is eminently suitable for undergraduate and graduate students. For practicing engineers without a background in salt solutions, this introductory volume can also be used as a self-study.


Fundamental Laboratory Mathematics

Fundamental Laboratory Mathematics

Author: Lela Buckingham

Publisher: F.A. Davis

Published: 2014-05-16

Total Pages: 351

ISBN-13: 0803641028

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Conquer the math skills essential for the laboratory... and reduce the anxieties math often induces! Step by step, skill by skill... you’ll progress from simple to complex calculations, building your proficiencies and testing them along the way. Perfect for classroom, clinical, and professional success!


Protein Structure

Protein Structure

Author: Daniel Chasman

Publisher: CRC Press

Published: 2003-03-18

Total Pages: 534

ISBN-13: 0824748166

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This text offers in-depth perspectives on every aspect of protein structure identification, assessment, characterization, and utilization, for a clear understanding of the diversity of protein shapes, variations in protein function, and structure-based drug design. The authors cover numerous high-throughput technologies as well as computational methods to study protein structures and residues. A valuable reference, this book reflects current trends in the effort to solve new structures arising from genome initiatives, details methods to detect and identify errors in the prediction of protein structural models, and outlines challenges in the conversion of routine processes into high-throughput platforms.


Biomolecular Crystallography

Biomolecular Crystallography

Author: Bernhard Rupp

Publisher: Garland Science

Published: 2009-10-20

Total Pages: 832

ISBN-13: 1134064195

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Synthesizing over thirty years of advances into a comprehensive textbook, Biomolecular Crystallography describes the fundamentals, practices, and applications of protein crystallography. Illustrated in full-color by the author, the text describes mathematical and physical concepts in accessible and accurate language. Biomolecular Crystallography will be a valuable resource for advanced undergraduate and graduate students and practitioners in structural biology, crystallography, and structural bioinformatics.


Computer Aided Molecular Design

Computer Aided Molecular Design

Author: Luke Achenie

Publisher: Elsevier

Published: 2002-11-20

Total Pages: 405

ISBN-13: 0080529437

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CAMD or Computer Aided Molecular Design refers to the design of molecules with desirable properties. That is, through CAMD, one determines molecules that match a specified set of (target) properties. CAMD as a technique has a very large potential as in principle, all kinds of chemical, bio-chemical and material products can be designed through this technique.This book mainly deals with macroscopic properties and therefore does not cover molecular design of large, complex chemicals such as drugs. While books have been written on computer aided molecular design relating to drugs and large complex chemicals, a book on systematic formulation of CAMD problems and solutions, with emphasis on theory and practice, which helps one to learn, understand and apply the technique is currently unavailable.·This title brings together the theoretical aspects related to Computer Aided Molecular Design, the different techniques that have been developed and the different applications that have been reported. ·Contributing authors are among the leading researchers and users of CAMD·First book available giving a systematic formulation of CAMD problems and solutions


Proceedings of International Conference on Computational Intelligence and Data Engineering

Proceedings of International Conference on Computational Intelligence and Data Engineering

Author: Nabendu Chaki

Publisher: Springer Nature

Published: 2022-02-28

Total Pages: 472

ISBN-13: 9811671826

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This book covers various topics, including collective intelligence, intelligent transportation systems, fuzzy systems, Bayesian network, ant colony optimization, data privacy and security, data mining, data warehousing, big data analytics, cloud computing, natural language processing, swarm intelligence, and speech processing. This book is a collection of high-quality research work on cutting-edge technologies and the most-happening areas of computational intelligence and data engineering. It includes selected papers from the International Conference on Computational Intelligence and Data Engineering (ICCIDE 2021).