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Handbook of Chemoinformatics Algorithms
  • Language: en
  • Pages: 454

Handbook of Chemoinformatics Algorithms

  • Type: Book
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  • Published: 2010-04-21
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  • Publisher: CRC Press

Unlike in the related area of bioinformatics, few books currently exist that document the techniques, tools, and algorithms of chemoinformatics. Bringing together worldwide experts in the field, the Handbook of Chemoinformatics Algorithms provides an overview of the most common chemoinformatics algorithms in a single source.After a historical persp

Reviews in Computational Chemistry, Volume 29
  • Language: en
  • Pages: 486

Reviews in Computational Chemistry, Volume 29

The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 29 include: Noncovalent Interactions in Density-Functional Theory Long-Range Inter-Particle Interactions: Insights from Molecular Quantum Electrodynamics (QED) Theory Efficient Transition-State Modeling using Molecular Mechanics Force Fields for the Everyday Chemist Machine Learning in Materials Science: Recent Progress and Emerging Applications Discovering New Materials via a priori Crystal Structure Prediction Introduction to Maximally Localized Wannier Functions Methods for a Rapid and Automated Description of Proteins: Protein Structure, Protein Similarity, and Protein Folding

Reviews in Computational Chemistry, Volume 31
  • Language: en
  • Pages: 368

Reviews in Computational Chemistry, Volume 31

The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 31 include: Lattice-Boltzmann Modeling of Multicomponent Systems: An Introduction Modeling Mechanochemistry from First Principles Mapping Energy Transport Networks in Proteins The Role of Computations in Catalysis The Construction of Ab Initio Based Potential Energy Surfaces Uncertainty Quantification for Molecular Dynamics

Humic Substances
  • Language: en
  • Pages: 404

Humic Substances

Humic substances, the remarkable brown biomaterials in animals, coals, plants, sediments, soils and waters, are crucial components of the carbon cycle and other life processes. Thus greater knowledge and understanding of these versatile materials is of great importance to the productivity, health and safety of the world's ecosystems, humans, land and water. Presenting the best and most recent research in this important area, this book focuses on the molecular and chemical aspects of humic substances, with sophisticated analytical, chemical and physical techniques providing vital information. Areas covered include spectroscopy, modelling, mobility, properties and analysis of humic substances. Humic Substances: Structures, Models and Functions will be welcomed by researchers and professionals in academia, industry and government agencies worldwide, particularly where the science of humic substances finds applications, such as environmental remediation and sustainable agriculture.

Advances in Synthetic Biology
  • Language: en
  • Pages: 349

Advances in Synthetic Biology

This book addresses the design of emerging conceptual tools, technologies and systems including novel synthetic parts, devices, circuits, oscillators, biological gates, and small regulatory RNAs (riboregulators and riboswitches), which serve as versatile control elements for regulating gene expression. Synthetic biology, a rapidly growing field that involves the application of engineering principles in biology, is now being used to develop novel systems for a wide range of applications including diagnostics, cell reprogramming, therapeutics, enzymes, vaccines, biomaterials, biofuels, fine chemicals and many more. The book subsequently summarizes recent developments in technologies for assembling synthetic genomes, minimal genomes, synthetic biology toolboxes, CRISPR-Cas systems, cell-free protein synthesis systems and microfluidics. Accordingly, it offers a valuable resource not only for beginners in synthetic biology, but also for researchers, students, scientists, clinicians, stakeholders and policymakers interested in the potential held by synthetic biology.

Computational Methods in Systems Biology
  • Language: en
  • Pages: 279

Computational Methods in Systems Biology

  • Type: Book
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  • Published: 2014-10-20
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  • Publisher: Springer

This book constitutes the proceedings of the 12th International Conference on Computational Methods in Systems Biology, CMSB 2014, held in Manchester, UK, in November 2014. The 16 regular papers presented together with 6 poster papers were carefully reviewed and selected from 31 regular and 18 poster submissions. The papers are organized in topical sections on formalisms for modeling biological processes, model inference from experimental data, frameworks for model verification, validation, and analysis of biological systems, models and their biological applications, computational approaches for synthetic biology, and flash posters.

Computational Approaches in Cheminformatics and Bioinformatics
  • Language: en
  • Pages: 299

Computational Approaches in Cheminformatics and Bioinformatics

A breakthrough guide employing knowledge that unites cheminformatics and bioinformatics as innovation for the future Bridging the gap between cheminformatics and bioinformatics for the first time, Computational Approaches in Cheminformatics and Bioinformatics provides insight on how to blend these two sciences for progressive research benefits. It describes the development and evolution of these fields, how chemical information may be used for biological relations and vice versa, the implications of these new connections, and foreseeable developments in the future. Using algorithms and domains as workflow tools, this revolutionary text drives bioinformaticians to consider chemical structure,...

Reviews in Computational Chemistry, Volume 22
  • Language: en
  • Pages: 391

Reviews in Computational Chemistry, Volume 22

FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry." -JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)." -JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reviews in Computational Chemistry, Volume 21
  • Language: en
  • Pages: 475

Reviews in Computational Chemistry, Volume 21

REVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz, Raima Larter, and Thomas R. Cundari This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. TOPICS COVERED IN Volume 21 iNCLUDE AB INITIO QUANTUM SIMULATION IN SOLID STATE CHEMISTRY; MOLECULAR QUANTUM SIMILARITY; ENUMERATING MOLECULES; VARIABLE SELECTION; BIOMOLECULAR APPLICATIONS OF POISSON-BOLTZMANN METHODS; AND DATA SOURCES AND COMPUTATIONAL APPROACHES FOR GENERATING MODELS OF GENE REGULATORY NETWORKS. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry." --JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)." --JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reviews in Computational Chemistry, Volume 25
  • Language: en
  • Pages: 450

Reviews in Computational Chemistry, Volume 25

VOLUME 25 Reviews in Computational Chemistry Kenny B. Lipkowitz and Thomas R. Cundari This Volume, Like Those Prior To It, Features Pedagogically Driven Reviews By Experts In Various Fields Of Computational Chemistry. Volume 25 Contains: Eight Chapters Covering The Glass Transition In Polymer Melts, Atomistic Modeling Of Friction, The Computation Of Free Volume, Structural Order And Entropy Of Liquids And Glasses, The Reactivity Of Materials At Extreme Conditions, Magnetic Properties Of Transition Metal Clusters, Multiconfigurational Quantum Methods For The Treatment Of Heavy Metals, Recursive Solutions To Large Eigenvalue Problems, And The Development And Uses Of Artificial Intelligence In ...