الصفحة 1
الصفحة 1
Open access databases and datasets for drug discovery
With an overview of 90 freely accessible databases and datasets on all aspects of drug design, development, and discovery, Open Access Databases and Datasets for Drug Discovery is a comprehensive guide to the vast amount of “free data” available to today’s pharmaceutical researchers. The applicability of open-source data for drug discovery and development is analyzed, and their usefulness in comparison with commercially available tools is evaluated. The most relevant databases for small molecules, drugs and druglike substances, ligand design, protein 3D structures (both experimental and calculated), and human drug targets are described in depth, including practical examples of how to access and work with the data. The first part is focused on databases for small molecules, followed by databases for macromolecular targets and diseases. The final part shows how to integrate various open-source tools into the academic and industrial drug discovery and development process.
One Hundred Years of Intuitionism (1907-2007) : The Cerisy Conference
With logicism and formalism, intuitionism is one of the main foundations for mathematics proposed in the twentieth century; and since the seventies, notably its views on logic have become important also outside foundational studies, with the development of theoretical computer science. The aim of the book is threefold: to review and complete the historical account of intuitionism; to present recent philosophical work on intuitionism; and to give examples of new technical advances and applications of intuitionism.
olution Sets for Net Zero Energy Buildings : Feedback from 30 Buildings Worldwide
Presents a unique study of 30 NZEBs that have been constructed and have had their performance measured for at least 12 months. The study is based upon an international collaborative research initiated by the International Energy Agency. It is the first book to evaluate building strategies in houses, educational buildings and offices that have been demonstrated to work in practice. It examines how the design challenges of climate and building type have been addressed, and to what extent the various design approaches have been successful. This book presents convincing evidence that a careful re-thinking of conventional design norms can achieve a far greater performance benefit than is normally feasible. It identifies 'solution sets' that work at the whole building level and at the individual building design challenge level for each climate and building type. In doing so, the book provides guidance as to how to improve the design by learning from these cases. Unusually for a book of this type it has examples of buildings in what are conventionally labeled 'hot' and 'cold' climates.
Occlusal splints for painful craniomandibular dysfunction
Bridges that gap, presenting a practical guide for the treatment of craniomandibular dysfunction (CMD)—a functional disorder that affects the muscles of mastication, temporomandibular joints, and/or occlusion—in patients with related pain. The first half of the book provides detailed but simple clinical instructions and examples of occlusal splint therapy, including splint fabrication and coordinative training for painful CMD, based entirely on a high level of evidence. The second half delves deeper into the etiology, advanced diagnostic techniques, neurobiology, and pathophysiology of painful CMD and splint therapy.
Numerical Simulation in Molecular Dynamics : Numerics, Algorithms, Parallelization, Applications
Particle models play an important role in many applications in physics, chemistry and biology. They can be studied on the computer with the help of molecular dynamics simulations. This book presents in detail both the necessary numerical methods and techniques (linked-cell method, SPME-method, tree codes, multipole technique) and the theoretical background and foundations. It illustrates the aspects modelling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. Furthermore, detailed explanations are given to the different steps of numerical simulation, and code examples are provided.
Numerical Methods Using Java : For Data Science, Analysis, and Engineering
Covers a wide range of topics, including chapters on linear algebra, root finding, curve fitting, differentiation and integration, solving differential equations, random numbers and simulation, a whole suite of unconstrained and constrained optimization algorithms, statistics, regression and time series analysis. The mathematical concepts behind the algorithms are clearly explained, with plenty of code examples and illustrations to help even beginners get started. You will: Program in Java using a high-performance numerical library / Learn the mathematics for a wide range of numerical computing algorithms / Convert ideas and equations into code / Put together algorithms/ and classes to build your own engineering solution / Build solvers for industrial optimization problems / Do data analysis using basic and advanced statistics
Numerical Linear Algebra
This book brings together linear algebra, numerical methods and an easy to use programming environment under Matlab (or Scilab). One of the key features of the book are the worked out examples and exercises at the end of each chapter. The reader is asked to do some numerical experiments in Matlab and then to prove the results theoretically. The book is a combination and update of two earlier French books by the authors. It is appropriate for both undergraduate and beginning graduate courses in mathematics as well as for working scientists and engineers as a self-study tool and reference.This book is about numerical linear algebra and focuses on practical algorithms for solving computer problems of linear algebra.
Numerical Continuation Methods for Dynamical Systems : Path following and boundary value problems
The book opens with a foreword by Herbert B. Keller and lecture notes by Sebius Doedel himself that introduce the basic concepts of numerical bifurcation analysis. The other chapters by leading experts discuss continuation for various types of systems and objects and showcase examples of how numerical bifurcation analysis can be used in concrete applications. Topics that are treated include: interactive continuation tools, higher-dimensional continuation, the computation of invariant manifolds, and continuation techniques for slow-fast systems, for symmetric Hamiltonian systems, for spatially extended systems and for systems with delay. Three chapters review physical applications: the dynamics of a SQUID, global bifurcations in laser systems, and dynamics and bifurcations in electronic circuits.
Numerical analysis
Introduces readers to the theory and application of modern numerical approximation techniques. Providing an accessible treatment that only requires a calculus prerequisite, the authors explain how, why, and when approximation techniques can be expected to work-and why, in some situations, they fail. A wealth of examples and exercises develop readers' intuition, and demonstrate the subject's practical applications to important everyday problems in math, computing, engineering, and physical science disciplines.
Number Theory ; Vol.15 : Tradition and Modernization
This book appears varied, they are unified by two underlying principles:first, making everything readable as a book, and second, making a smooth transition from traditional approaches to modern ones by providing a rich array of examples. The chapters are presented in quite different in depth and cover a variety of descriptive details.The book emphasizes a few common features such as functional equations for various zeta-functions, modular forms, congruence conditions, exponential sums, and algorithmic aspects.
Nuclear Principles in Engineering
Nuclear Principles in Engineering is written for students, engineers, physicians and scientists who need up-to-date information in basic nuclear concepts and calculation methods using numerous examples and illustrative computer application areas.
Nuclear Condensed Matter Physics with Synchrotron : Basic Principles, Methodology and Applications
This book provides a comprehensive introduction to the growing field of nuclear condensed matter physics with synchrotron radiation, a technique which finds numerous applications in fields such as magnetism, physics of surfaces and interfaces, lattice dynamics and more. Due to the enormous brilliance of modern synchrotron radiation sources, the method is particularly suited for the investigation of low-dimensional structures such as thin films and nanoparticles. The use of isotopic probe layers, for example, allows one to determine magnetic and vibrational properties with very high spatial resolution; focusing techniques and x-ray interference effects lead to a very high sensitivity for smallest amounts of material. The book is written on an introductory level with many examples employed to illustrate the special experimental possibilities.
Novel Developments for Sustainable Hydropower
This book presents (selected) new and innovative developments for sustainable and fish-friendly hydropower. It offers unique insights into the challenges, practices and policies of hydropower developments across 8 European countries, providing examples from on-site studies and European-wide analyses. The case studies throughout the book are practical “real-world” examples, which are intended to serve as inspiration for anyone who would like to know more about how solutions for more sustainable hydropower production can be designed and implemented. Hydropower is an important renewable energy source, which, however, can also impact aquatic ecosystems, fish populations and hydro-morphology. EU and national water, environmental and energy legislation strive for sustainable energy and water resource management as well as the protection of important habitats and species. These have an effect on the requirements and decision making processes for hydropower planning, commissioning and operation. With a high variety of measures existing and site-specific conditions as well as national and EU level legal requirements to consider, it can be difficult to determine, what issues to address and which measures to implement.
Nonstandard Analysis
The book is an introduction with emphasis on those more advanced applications in analysis which are hardly accessible by other methods. Examples of such topics are a deeper analysis of certain functionals like Hahn-Banach limits or of finitely additive measures: From the viewpoint of classical analysis these are strange objects whose mere existence is even hard to prove. From the viewpoint of nonstandard analysis, these are rather 'explicit' objects.
Nonparametric Functional Data Analysis : Theory and Practice
Modern apparatuses allow us to collect samples of functional data, mainly curves but also images. On the other hand, nonparametric statistics produces useful tools for standard data exploration. This book links these two fields of modern statistics by explaining how functional data can be studied through parameter-free statistical ideas. This book starts from theoretical foundations including functional nonparametric modeling, description of the mathematical framework, construction of the statistical methods, and statements of their asymptotic behaviors. It proceeds to computational issues including R and S-PLUS routines. Several functional datasets in chemometrics, econometrics, and pattern recognition are used to emphasize the wide scope of nonparametric functional data analysis in applied sciences. The companion Web site includes R and S-PLUS routines, command lines for reproducing examples presented in the book, and the functional datasets. Rather than set application against theory, this book is really an interface of these two features of statistics. A special effort has been made in writing this book to accommodate several levels of reading.
Nonlinear Partial Differential Equations for Scientists and Engineers
This expanded and revised second edition is a comprehensive and systematic treatment of linear and nonlinear partial differential equations and their varied applications. Building upon the successful material of the first book, this edition contains updated modern examples and applications from areas of fluid dynamics, gas dynamics, plasma physics, nonlinear dynamics, quantum mechanics, nonlinear optics, acoustics, and wave propagation. Methods and properties of solutions are presented, along with their physical significance, making the book more useful for a diverse readership.
Nonlinear Optimization with Financial Applications
The book introduces the key ideas behind practical nonlinear optimization. Computational finance—an increasingly popular area of mathematics degree programmes—is combined here with the study of an important class of numerical techniques. The essentials of most currently popular algorithms are described and their performance is demonstrated on a range of optimization problems arising in financial mathematics. Theoretical convergence properties of methods are stated and formal proofs are provided in enough cases to be instructive rather than overwhelming. Practical behaviour of methods is illustrated by computational examples and discussions of efficiency, accuracy and computational costs. Supporting software for the examples and exercises is available
Nonlinear Fokker-Planck Equations : Fundamentals and Applications
Providing an introduction to the theory of nonlinear Fokker-Planck equations, this book discusses fundamental properties of transient and stationary solutions, emphasizing the stability analysis of stationary solutions by means of self-consistency equations, linear stability analysis, and Lyapunov's direct method. Also treated are Langevin equations and correlation functions. Nonlinear Fokker-Planck Equations addresses various phenomena such as phase transitions, multistability of systems, synchronization, anomalous diffusion, cut-off solutions, travelling-wave solutions and the emergence of power law solutions. A nonlinear Fokker-Planck perspective to quantum statistics, generalized thermodynamics, and linear nonequilibrium thermodynamics is given. Theoretical concepts are illustrated where possible by simple examples. The book also reviews several applications in the fields of condensed matter physics, the physics of porous media and liquid crystals, accelerator physics, neurophysics, social sciences, population dynamics, and computational physics.
Non-Linear Electromechanics
This is the first book in which problems of electromechanics are considered from the perspective of analytical mechanics. The book includes fundamental results in the theory of non-linear electromechanical systems and will be useful both for researchers, engineers, scholars and graduate students of electromechanical faculties of technical universities. It includes not only theoretical results but also various examples from many industrial applications. A sizeable part of the book is devoted to the general theory of synchronous machines and electro-magnetic exciters of oscillations.
Nonlinear Dynamics and Heterogeneous Interacting Agents
Economic application of nonlinear dynamics, microscopic agent-based modelling, and the use of artificial intelligence techniques as learning devices of boundedly rational actors are among the most exciting interdisciplinary ventures of economic theory over the past decade. This volume provides us with a most fascinating series of examples on "complexity in action" exemplifying the scope and explanatory power of these innovative approaches.
