rajiv gandhi govindaraj molecular modeling studies of tlrs

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Philippe Marcus Molecular Modeling of Corrosion Processes. Scientific Development and Engineering Applications

Presents opportunities for making significant improvements in preventing harmful effects that can be caused by corrosion Describes concepts of molecular modeling in the context of materials corrosion Includes recent examples of applications of molecular modeling to corrosion phenomena throughout the text Details how molecular modeling can give insights into the multitude of interconnected and complex processes that comprise the corrosion of metals Covered applications include diffusion and electron transfer at metal/electrolyte interfaces, Monte Carlo simulations of corrosion, corrosion inhibition, interrogating surface chemistry, and properties of passive films Presents current challenges and likely developments in this field for the future

9672.91 рублей

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Peter Comba Modeling of Molecular Properties

Molecular modeling encompasses applied theoretical approaches and computational techniques to model structures and properties of molecular compounds and materials in order to predict and / or interpret their properties. The modeling covered in this book ranges from methods for small chemical to large biological molecules and materials. With its comprehensive coverage of important research fields in molecular and materials science, this is a must-have for all organic, inorganic and biochemists as well as materials scientists interested in applied theoretical and computational chemistry. The 28 chapters, written by an international group of experienced theoretically oriented chemists, are grouped into four parts: Theory and Concepts; Applications in Homogeneous Catalysis; Applications in Pharmaceutical and Biological Chemistry; and Applications in Main Group, Organic and Organometallic Chemistry. The various chapters include concept papers, tutorials, and research reports.

15096.5 рублей

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Juergen Siepmann Computational Pharmaceutics. Application of Molecular Modeling in Drug Delivery

Molecular modeling techniques have been widely used in drug discovery fields for rational drug design and compound screening. Now these techniques are used to model or mimic the behavior of molecules, and help us study formulation at the molecular level. Computational pharmaceutics enables us to understand the mechanism of drug delivery, and to develop new drug delivery systems. The book discusses the modeling of different drug delivery systems, including cyclodextrins, solid dispersions, polymorphism prediction, dendrimer-based delivery systems, surfactant-based micelle, polymeric drug delivery systems, liposome, protein/peptide formulations, non-viral gene delivery systems, drug-protein binding, silica nanoparticles, carbon nanotube-based drug delivery systems, diamond nanoparticles and layered double hydroxides (LDHs) drug delivery systems. Although there are a number of existing books about rational drug design with molecular modeling techniques, these techniques still look mysterious and daunting for pharmaceutical scientists. This book fills the gap between pharmaceutics and molecular modeling, and presents a systematic and overall introduction to computational pharmaceutics. It covers all introductory, advanced and specialist levels. It provides a totally different perspective to pharmaceutical scientists, and will greatly facilitate the development of pharmaceutics. It also helps computational chemists to look for the important questions in the drug delivery field. This book is included in the Advances in Pharmaceutical Technology book series.

11997.76 рублей

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Jie Liang Models and Algorithms for Biomolecules and Molecular Networks

By providing expositions to modeling principles, theories, computational solutions, and open problems, this reference presents a full scope on relevant biological phenomena, modeling frameworks, technical challenges, and algorithms. Up-to-date developments of structures of biomolecules, systems biology, advanced models, and algorithms Sampling techniques for estimating evolutionary rates and generating molecular structures Accurate computation of probability landscape of stochastic networks, solving discrete chemical master equations End-of-chapter exercises

8622.88 рублей

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Elloumi Mourad Algorithms in Computational Molecular Biology. Techniques, Approaches and Applications

This book represents the most comprehensive and up-to-date collection of information on the topic of computational molecular biology. Bringing the most recent research into the forefront of discussion, Algorithms in Computational Molecular Biology studies the most important and useful algorithms currently being used in the field, and provides related problems. It also succeeds where other titles have failed, in offering a wide range of information from the introductory fundamentals right up to the latest, most advanced levels of study.

13947.02 рублей

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Kenny Lipkowitz B. Reviews in Computational Chemistry

The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around 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 28 include: Free-energy Calculations with Metadynamics Polarizable Force Fields for Biomolecular Modeling Modeling Protein Folding Pathways Assessing Structural Predictions of Protein-Protein Recognition Kinetic Monte Carlo Simulation of Electrochemical Systems Reactivity and Dynamics at Liquid Interfaces

15067.45 рублей

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Kenneth Lipkowitz B. Reviews in Computational Chemistry

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

14622.12 рублей

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Harald Seitz Biomarker Validation. Technological, Clinical and Commercial Aspects

Built on a decade of experience with novel molecular diagnostics, this practice-oriented guide shows how to cope with validation issues during all stages of biomarker development, from the first clinical studies to the eventual commercialization of a new diagnostic test.

12372.67 рублей

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Ian Dunn S. Searching for Molecular Solutions. Empirical Discovery and Its Future

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 aspectsof molecular discovery, as well as the thought processes behind experimental approaches. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.

11418.17 рублей

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Yuliang Zhao Toxicology of Nanomaterials

This book provides the reader with a comprehensive view of analytical methods for nanotoxicology studies. After an introduction to nanomaterials and toxicological studies, the book discusses various characterization methods of nanomaterials and continues with the detection of nanoparticles in vivo as well as in vitro. A variety of techniques in molecular toxicology of nanomaterials is presented, followed by a detailed explanation of interaction between nanoparticles and biomacromolecules, including the structure-toxicity relationships of nanomaterials. Finally, the book concludes with the advantages and challenges of the analytical methods for nanotoxicology.

14247.21 рублей

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Gee David Multiscale Modeling of Particle Interactions. Applications in Biology and Nanotechnology

Discover how the latest computational tools are building our understanding of particle interactions and leading to new applications With this book as their guide, readers will gain a new appreciation of the critical role that particle interactions play in advancing research and developing new applications in the biological sciences, chemical engineering, toxicology, medicine, and manufacturing technology The book explores particles ranging in size from cations to whole cells to tissues and processed materials. A focus on recreating complex, real-world dynamical systems helps readers gain a deeper understanding of cell and tissue mechanics, theoretical aspects of multiscale modeling, and the latest applications in biology and nanotechnology. Following an introductory chapter, Multiscale Modeling of Particle Interactions is divided into two parts: Part I, Applications in Nanotechnology, covers: Multiscale modeling of nanoscale aggregation phenomena: applications in semiconductor materials processing Multiscale modeling of rare events in self-assembled systems Continuum description of atomic sheets Coulombic dragging and mechanical propelling of molecules in nanofluidic systems Molecular dynamics modeling of nanodroplets and nanoparticles Modeling the interactions between compliant microcapsules and patterned surfaces Part II, Applications in Biology, covers: Coarse-grained and multiscale simulations of lipid bilayers Stochastic approach to biochemical kinetics In silico modeling of angiogenesis at multiple scales Large-scale simulation of blood flow in microvessels Molecular to multicellular deformation during adhesion of immune cells under flow Each article was contributed by one or more leading experts and pioneers in the field. All readers, from chemists and biologists to engineers and students, will gain new insights into how the latest tools in computational science can improve our understanding of particle interactions and support the development of novel applications across the broad spectrum of disciplines in biology and nanotechnology.

12261.12 рублей

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James Kubicki D. Molecular Modeling of Geochemical Reactions. An Introduction

Molecular processes in nature affect human health, the availability of resources and the Earth’s climate. Molecular modelling is a powerful and versatile toolbox that complements experimental data and provides insights where direct observation is not currently possible. Molecular Modeling of Geochemical Reactions: An Introduction applies computational chemistry to geochemical problems. Chapters focus on geochemical applications in aqueous, petroleum, organic, environmental, bio- and isotope geochemistry, covering the fundamental theory, practical guidance on applying techniques, and extensive literature reviews in numerous geochemical sub-disciplines. Topics covered include: • Theory and Methods of Computational Chemistry • Force Field Application and Development • Computational Spectroscopy • Thermodynamics • Structure Determination • Geochemical Kinetics This book will be of interest to graduate students and researchers looking to understand geochemical processes on a molecular level. Novice practitioners of molecular modelling, experienced computational chemists, and experimentalists seeking to understand this field will all find information and knowledge of use in their research.

10123.22 рублей

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Francis Martin Molecular Mycorrhizal Symbiosis

Recent years have seen extensive research in the molecular underpinnings of symbiotic plant-fungal interactions. Molecular Mycorrhizal Symbiosis is a timely collection of work that will bridge the gap between molecular biology, fungal genomics, and ecology. A more profound understanding of mycorrhizal symbiosis will have broad-ranging impacts on the fields of plant biology, mycology, crop science, and ecology. Molecular Mycorrhizal Symbiosis will open with introductory chapters on the biology, structure and phylogeny of the major types of mycorrhizal symbioses. Chapters then review different molecular mechanisms driving the development and functioning of mycorrhizal systems and molecular analysis of mycorrhizal populations and communities. The book closes with chapters that provide an overall synthesis of field and provide perspectives for future research. Authoritative and timely, Molecular Mycorrhizal Symbiosis, will be an essential reference from those working in plant and fungal biology.

14993.47 рублей

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Andrei Gakh A. Molecular Devices. An Introduction to Technomimetics and its Biological Applications

Comprehensive look at mechanical molecular devices that mimic the behavior of man-made devices Molecular devices and molecular machines are individual molecules and molecular systems capable of providing valuable device-like functions. Many of them have distinct conventional prototypes and therefore can be identified as technomimetic molecules. The last decade has seen an increasing rate of practical applications of molecular devices and machines, primarily in biomedical and material science fields. Molecular devices: An Introduction to Technomimetics and its Biological Applications focuses on mechanical molecular devices, including the early set of technomimetic molecules. Topics covered include the many simple molecular devices such as container compounds, gearing systems, belts and tubes, and tweezers. It touches upon each molecular machine and discusses in great detail the importance of their applications as well as the latest progress in the fields of chemistry, physics, and biotechnology. Interdisciplinary: Must-have content for physicists, chemists, and biologists Comprehensive: Details an extensive set of mechanical technomimetic molecular devices Thorough: Starts with the fundamental material characterization and finishes with real-world device application Molecular devices: An Introduction to Technomimetics and its Biological Applications is an important book for graduate students, researchers, scientists, and engineers in the fields of chemistry, materials science, molecular physics, engineering, biotechnology, and molecular medicine.

12452.7 рублей

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В. В. Луков The fundamentals of molecular magnetism

Molecular magnetism occupies a crossing point between two fields of research-materials science and metal biochemistry – and plays an important role in the field of molecular electronics. The “Fundamentals of molecular magnetism” is the textbook to comprehensively address both the experimental and theoretical aspects of the relatively new field of research. It introduces the basic concepts concerning magnetization and magnetic susceptibility, establishes the fundamental equations of molecular magnetism and examines molecules containing a unique magnetic center, including the highspinlow- spin transition compounds. The textbook highlights polymetallic species, reviews the phenomenon of interaction between spin carriers from a theoretical point of view and includes numerous examples throughout to illustrate the topics discussed. An essential part of the textbook is devoted to novel class of magneto active materials- single molecular magnets (SMMs)

216 рублей

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Mauricio Rojas Molecular Aspects of Aging. Understanding Lung Aging

Molecular Aspects of Aging: Understanding Lung Aging covers recent research in the mechanisms that contribute to cellular senescence. Covering universal themes in aging, such as the exhaustion of stem cells and subsequent loss of the regenerative refueling of organs as well as immunosenescence, this text illuminates new directions for research not yet explored in the still poorly investigated area of molecular mechanisms of lung aging. The molecular nature of general aging processes is explored with targeted coverage on how to analyze lung aging through experimental approaches.

10043.55 рублей

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Robert Henry J. Molecular Markers in Plants

Molecular Markers in Plants surveys an array of technologies used in the molecular analysis of plants. The role molecular markers play in plant improvement has grown significantly as DNA sequencing and high-throughput technologies have matured. This timely review of technologies and techniques will provide readers with a useful resource on the latest molecular technologies. Molecular Markers in Plants not only reviews past achievements, but also catalogs recent advances and looks forward towards the future application of molecular technologies in plant improvement. Opening chapters look at the development of molecular technologies. Subsequent chapters look at a wide range of applications for the use of these advances in fields as diverse as plant breeding, production, biosecurity, and conservation. The final chapters look forward toward future developments in the field. Looking broadly at the field of molecular technologies, Molecular Markers in Plants will be an essential addition to the library of every researcher, institution, and company working in the field of plant improvement.

16855.21 рублей

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Discover how the latest computational tools are building our understanding of particle interactions and leading to new applications With this book as their guide, readers will gain a new appreciation of the critical role that particle interactions play in advancing research and developing new applications in the biological sciences, chemical engineering, toxicology, medicine, and manufacturing technology The book explores particles ranging in size from cations to whole cells to tissues and processed materials. A focus on recreating complex, real-world dynamical systems helps readers gain a deeper understanding of cell and tissue mechanics, theoretical aspects of multiscale modeling, and the latest applications in biology and nanotechnology. Following an introductory chapter, Multiscale Modeling of Particle Interactions is divided into two parts: Part I, Applications in Nanotechnology, covers: Multiscale modeling of nanoscale aggregation phenomena: applications in semiconductor materials processing Multiscale modeling of rare events in self-assembled systems Continuum description of atomic sheets Coulombic dragging and mechanical propelling of molecules in nanofluidic systems Molecular dynamics modeling of nanodroplets and nanoparticles Modeling the interactions between compliant microcapsules and patterned surfaces Part II, Applications in Biology, covers: Coarse-grained and multiscale simulations of lipid bilayers Stochastic approach to biochemical kinetics In silico modeling of angiogenesis at multiple scales Large-scale simulation of blood flow in microvessels Molecular to multicellular deformation during adhesion of immune cells under flow Each article was contributed by one or more leading experts and pioneers in the field. All readers, from chemists and biologists to engineers and students, will gain new insights into how the latest tools in computational science can improve our understanding of particle interactions and support the development of novel applications across the broad spectrum of disciplines in biology and nanotechnology.

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