الصفحة 23
الصفحة 23
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Computer-aided drug design

Computer-Aided Drug Design (CADD) is a comprehensive guide designed for both beginners and experienced users in CADD. Covers the fundamental principles and gradually delves into more advanced concepts and techniques, making it an invaluable resource to anyone interested in CADD. It begins by establishing a solid foundation, explaining the core concepts of CADD, the user interface and essential tools. It covers QSAR, molecular docking, homology modeling, virtual screening, pharmacophore modeling, ensuring that the reader can quickly become proficient in CADD. Provides in-depth insights into 3D modeling, rendering, and parametric design. The style of the book is simple, every topic begins from the very basics and explores advanced levels with clarity. Practical examples, step-by-step tutorials and hands-on exercises, are included for better understanding.

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Computer simulation studies in condensed-matter physics XVI ; Proceedings of the Seventeenth Workshop, Athens, GA, USA, February 16-20, 2004

This status report features the most recent developments in the field, spanning a wide range of topical areas in the computer simulation of condensed matter/materials physics. Both established and new topics are included, ranging from the statistical mechanics of classical magnetic spin models to electronic structure calculations, quantum simulations, and simulations of soft condensed matter. The book presents new physical results as well as novel methods of simulation and data analysis. Highlights of this volume include various aspects of non-equilibrium statistical mechanics, studies of properties of real materials using both classical model simulations and electronic structure calculations, and the use of computer simulations in teaching.

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Computer Music Modeling and Retrieval ; Vol. 3310

This volume contains the final proceedings for the 2004 Computer Music Model-ing and Retrieval Symposium (CMMR 2004). CMMR is an annualevent focusing on important aspects of computer music. CMMR 2004 is the sec-ond event in this series. The use of computers in music is well established. CMMR 2004 provided aunique opportunity to meet and interact with peers concerned with the cross-influence of the technological and creative in computer music. The field of com-puter music is interdisciplinary by nature and closely related to a number of com-puter science and engineering areas such as information retrieval, programming,human computer interaction, digital libraries, hypermedia, artificial intelligence,acoustics, signal processing, etc. The event gathered many interesting people(researchers, educators, composers, performers, and others). There were manyhigh-quality keynote and paper presentations, that fostered inspiring discussions.

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Computer Mathematics ; 8th Asian Symposium, ASCM 2007, Singapore, December 15-17, 2007. Revised and Invited Papers

This book constitutes thoroughly refereed post-conference proceedings of the 8th Asian Symposium on Computer Mathematics, ASCM 2007, held in Singapore in December 2007.

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Computer Algebra in Scientific Computing ; 10th International Workshop, CASC 2007, Bonn, Germany, September 16-20, 2007, Proceedings

The book covers not only various expanding applications of computer algebra to scientific computing but also the computer algebra systems themselves and the CA algorithms. Topics addressed are studies in polynomial and matrix algebra, quantifier elimination, and Gröbner bases, as well as stability investigation of both differential equations and difference methods for them. Several papers are devoted to the application of computer algebra methods and algorithms to the derivation of new mathematical models in biology and in mathematical physics.

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Computational Techniques for Voltage Stability Assessment and Control

The key concepts of both saddle node and Hopf bifurcation are covered. These are illustrated with the differential-algebraic equation (DAE) model of the system. The model is complex enough to include Load Tap-Changing transformers as well as HVDC models. The dynamic model of the generating unit includes the exciter since it plays a crucial role in voltage stability. A promising decoupled dynamic simulation technique is introduced for time domain analysis. Computational Techniques for Voltage Stability Assessment and Control provides the computational tools and algorithms needed for development of on-line voltage security assessment

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Computational science and its applications - ICCSA 2006 ; Vol. 3983 ; International Conference, Glasgow, UK, May 8-11, 2006, Proceedings, Part IV

This ?ve-volume set was compiled following the 2006 International Conference on Computational Science and its Applications, ICCSA 2006. It represents the outstanding collection of almost 664 refereed papers selected from over 2,450 submissions to ICCSA 2006. Computational science has ?rmly established itself as a vital part of many scienti?c investigations, a?ecting researchers and practitioners in areas ranging from applications such as aerospace and automotive, to emerging technologies such as bioinformatics and nanotechnologies, to core disciplines such as ma- ematics, physics, and chemistry.

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Computational science and its applications - ICCSA 2006 ; Vol. 3982 ; International Conference, Glasgow, UK, May 8-11, 2006, Proceedings, Part III

This ?ve-volume set was compiled following the 2006 International Conference on Computational Science and its Applications, ICCSA 2006. It represents the outstanding collection of almost 664 refereed papers selected from over 2,450 submissions to ICCSA 2006. Computational science has ?rmly established itself as a vital part of many scienti?c investigations, a?ecting researchers and practitioners in areas ranging from applications such as aerospace and automotive, to emerging technologies such as bioinformatics and nanotechnologies, to core disciplines such as ma- ematics, physics, and chemistry.

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Computational science and its applications - ICCSA 2006 ; Vol. 3981 ; International Conference, Glasgow, UK, May 8-11, 2006, Proceedings, Part II

This ?ve-volume set was compiled following the 2006 International Conference on Computational Science and its Applications, ICCSA 2006. It represents the outstanding collection of almost 664 refereed papers selected from over 2,450 submissions to ICCSA 2006. Computational science has ?rmly established itself as a vital part of many scienti?c investigations, a?ecting researchers and practitioners in areas ranging from applications such as aerospace and automotive, to emerging technologies such as bioinformatics and nanotechnologies, to core disciplines such as ma- ematics, physics, and chemistry.

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Computational science and its applications - ICCSA 2006 ; Vol. 3980 ; International Conference, Glasgow, UK, May 8-11, 2006, Proceedings, Part I

This ?ve-volume set was compiled following the 2006 International Conference on Computational Science and its Applications, ICCSA 2006. It represents the outstanding collection of almost 664 refereed papers selected from over 2,450 submissions to ICCSA 2006. Computational science has ?rmly established itself as a vital part of many scienti?c investigations, a?ecting researchers and practitioners in areas ranging from applications such as aerospace and automotive, to emerging technologies such as bioinformatics and nanotechnologies, to core disciplines such as ma- ematics, physics, and chemistry.

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Computational science and its applications - ICCSA 2006 ;Vol. 3984 ; International Conference, Glasgow, UK, May 8-11, 2006, Proceedings, Part V

This ?ve-volume set was compiled following the 2006 International Conference on Computational Science and its Applications, ICCSA 2006. It represents the outstanding collection of almost 664 refereed papers selected from over 2,450 submissions to ICCSA 2006. Computational science has ?rmly established itself as a vital part of many scienti?c investigations, a?ecting researchers and practitioners in areas ranging from applications such as aerospace and automotive, to emerging technologies such as bioinformatics and nanotechnologies, to core disciplines such as ma- ematics, physics, and chemistry.

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Computational science and its applications - ICCSA 2005 ; Vol. 3483 ; International Conference, Singapore, May 9-12, 2005, Proceedings, Part IV

The four volume set assembled following The 2005 International Conference on Computational Science and its Applications, ICCSA 2005, held in Suntec International Convention and Exhibition Centre, Singapore, from 9 May 2005 till 12 May 2005, represents the ?ne collection of 540 refereed papers selected from nearly 2,700 submissions. Computational Science has ?rmly established itself as a vital part of many scienti?c investigations, a?ecting researchers and practitioners in areas ranging from applications such as aerospace and automotive, to emerging technologies such as bioinformatics and nanotechnologies, to core disciplines such as ma- ematics, physics, and chemistry. Due to the shear size of many challenges in computational science, the use of supercomputing, parallel processing, and - phisticated algorithms is inevitable and becomes a part of fundamental t- oretical research as well as endeavors in emerging ?elds.

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Computational science and its applications - ICCSA 2005 ; Vol. 3482 ; International Conference, Singapore, May 9-12. 2005, Proceedings, Part III

The four volume set assembled following The 2005 International Conference on Computational Science and its Applications, ICCSA 2005, held in Suntec International Convention and Exhibition Centre, Singapore, from 9 May 2005 till 12 May 2005, represents the ?ne collection of 540 refereed papers selected from nearly 2,700 submissions. Computational Science has ?rmly established itself as a vital part of many scienti?c investigations, a?ecting researchers and practitioners in areas ranging from applications such as aerospace and automotive, to emerging technologies such as bioinformatics and nanotechnologies, to core disciplines such as ma- ematics, physics, and chemistry. Due to the shear size of many challenges in computational science, the use of supercomputing, parallel processing, and - phisticated algorithms is inevitable and becomes a part of fundamental t- oretical research as well as endeavors in emerging ?elds.

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Computational science and its applications - ICCSA 2005 ; International Conference, Singapore, May 9-12, 2005, Proceedings, Part II

The four volume set assembled following The 2005 International Conference on Computational Science and its Applications, ICCSA 2005, held in Suntec International Convention and Exhibition Centre, Singapore, from 9 May 2005 till 12 May 2005, represents the ?ne collection of 540 refereed papers selected from nearly 2,700 submissions. Computational Science has ?rmly established itself as a vital part of many scienti?c investigations, a?ecting researchers and practitioners in areas ranging from applications such as aerospace and automotive, to emerging technologies such as bioinformatics and nanotechnologies, to core disciplines such as ma- ematics, physics, and chemistry. Due to the shear size of many challenges in computational science, the use of supercomputing, parallel processing, and - phisticated algorithms is inevitable and becomes a part of fundamental t- oretical research as well as endeavors in emerging ?elds.

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Computational Quantum Mechanics for Materials Engineers : The EMTO Method and Applications

Computational Quantum Mechanics for Materials Engineers describes new approaches to the modelling of disordered alloys that combine the most efficient quantum-level theories of random alloys with the most sophisticated numerical techniques to establish a theoretical insight into the electronic structure of complex materials such as stainless steels, Hume-Rothery alloys and silicates. The practical success of these approaches to applications in all of these areas are covered in detail. The new EMTO-CPA method is detailed, including its application in alloys to model structural stability and elastic properties of random alloys of arbitrary composition and the effect of alloying elements on elastic stiffnesses stacking fault energies and structural parameters. The EMTO-CPA method makes new approaches to computational alloy design feasible. Computational Quantum Mechanics for Materials Engineers shows how the technique will soon allow materials engineers to become "quantum blacksmiths

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Computational Multiscale Modeling of Fluids and Solids : Theory and Applications

The book includes the micro-scale, the meso-scale and the macro-scale. The chapters follow this classification. The book will explain in detail many tricks of the trade of some of the most important methods and techniques that are used to simulate materials on the perspective levels of spatial and temporal resolution. Case studies are occasionally included to further illustrate some methods or theoretical considerations. Example applications for all techniques are provided, some of which are from the author’s own contributions to some of the research areas. Methods are explained, if possible, on the basis of the original publications but also references to standard text books established in the various fields are mentioned.

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Computational Life Sciences ; Vol. 3695 ; 1st International Symposium, CompLife 2005, Konstanz, Germany, September 25-27, 2005, Proceedings

This book constitutes the refereed proceedings of the First International Symposium on Computational Life Sciences, CompLife 2005, held in Konstanz, Germany in September 2005. The integration of knowledge in the life sciences is continuing apace with ev- increasingimportancebeing placedoncomputer-basedmethodsofdata capture, analysis, and knowledge representation. Today, our many di?erent sciences are providing us with a sea of information: it is the handling of this in?ux that is becoming a key discovery and regulatory question. The solutions to these problems will result in advancements to all of the involved sciences and will be highly in?uential both in the selection of the areas scientists seek to investigate and also on their success. For this to happen, it is crucial to establish an open and lively exchange between computer scientists, biologists, and chemists. To encourage precisely this type of exchange, crossing the borders of the sciences, we organized the 1st Symposium on Computational Life Science in Konstanz, Germany(September 25 27,2005).

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Computational Intelligence, Theory and Applications ; International Conference 9th Fuzzy Days in Dortmund, Germany, Sept. 18-20, 2006 Proceedings

This book constitutes the refereed proceedings of the 9th Dortmund Fuzzy Days, held in Dortmund, Germany, 2006. The Fuzzy Days conference has established itself as an international forum for the discussion of new results in the field of Computational Intelligence. All the papers had to undergo a thorough review guaranteeing a solid quality of the programme. The papers are devoted to foundational and practical issues in fuzzy systems, neural networks, evolutionary algorithms, and machine learning and thus cover the whole range of computational intelligence.

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Computational Intelligence, Theory and Applications ; International Conference 8th Fuzzy Days in Dortmund, Germany, Sept. 29-Oct. 01, 2004 Proceedings

This book constitutes the refereed proceedings of the 8th Dortmund Fuzzy Days, held in Dortmund, Germany, 2004. The Fuzzy-Days conference has established itself as an international forum for the discussion of new results in the field of Computational Intelligence. All the papers had to undergo a thorough review guaranteeing a solid quality of the programme. The papers are devoted to foundational and practical issues in fuzzy systems, neural networks, evolutionary algorithms, and machine learning and thus cover the whole range of computational intelligence.

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Computational intelligence based on lattice theory

The emergence of lattice theory within the field of computational intelligence (CI) is partially due to its proven effectiveness in neural computation. Moreover, lattice theory has the potential to unify a number of diverse concepts and aid in the cross-fertilization of both tools and ideas within the numerous subfields of CI. The compilation of this eighteen-chapter book is an initiative towards proliferating established knowledge in the hope to further expand it. This edited book is a balanced synthesis of four parts emphasizing, in turn, neural computation, mathematical morphology, machine learning, and (fuzzy) inference/logic. The articles here demonstrate how lattice theory may suggest viable alternatives in practical clustering, classification, pattern analysis, and regression applications.

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