Recent Advances of the Fragment Molecular Orbital Method

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Author :
Publisher : Springer Nature
ISBN 13 : 9811592357
Total Pages : 606 pages
Book Rating : 4.8/5 (115 download)

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Book Synopsis Recent Advances of the Fragment Molecular Orbital Method by : Yuji Mochizuki

Download or read book Recent Advances of the Fragment Molecular Orbital Method written by Yuji Mochizuki and published by Springer Nature. This book was released on 2021-01-04 with total page 606 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers recent advances of the fragment molecular orbital (FMO) method, consisting of 5 parts and a total of 30 chapters written by FMO experts. The FMO method is a promising way to calculate large-scale molecular systems such as proteins in a quantum mechanical framework. The highly efficient parallelism deserves being considered the principal advantage of FMO calculations. Additionally, the FMO method can be employed as an analysis tool by using the inter-fragment (pairwise) interaction energies, among others, and this feature has been utilized well in biophysical and pharmaceutical chemistry. In recent years, the methodological developments of FMO have been remarkable, and both reliability and applicability have been enhanced, in particular, for non-bio problems. The current trend of the parallel computing facility is of the many-core type, and adaptation to modern computer environments has been explored as well. In this book, a historical review of FMO and comparison to other methods are provided in Part I (two chapters) and major FMO programs (GAMESS-US, ABINIT-MP, PAICS and OpenFMO) are described in Part II (four chapters). dedicated to pharmaceutical activities (twelve chapters). A variety of new applications with methodological breakthroughs are introduced in Part IV (six chapters). Finally, computer and information science-oriented topics including massively parallel computation and machine learning are addressed in Part V (six chapters). Many color figures and illustrations are included. Readers can refer to this book in its entirety as a practical textbook of the FMO method or read only the chapters of greatest interest to them.

High Performance Computing for Drug Discovery and Biomedicine

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Publisher : Springer Nature
ISBN 13 : 1071634496
Total Pages : 430 pages
Book Rating : 4.0/5 (716 download)

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Book Synopsis High Performance Computing for Drug Discovery and Biomedicine by : Alexander Heifetz

Download or read book High Performance Computing for Drug Discovery and Biomedicine written by Alexander Heifetz and published by Springer Nature. This book was released on 2023-09-13 with total page 430 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume explores the application of high-performance computing (HPC) technologies to computational drug discovery (CDD) and biomedicine. The first section collects CDD approaches that, together with HPC, can revolutionize and automate drug discovery process, such as knowledge graphs, natural language processing (NLP), Bayesian optimization, automated virtual screening platforms, alchemical free energy workflows, fragment-molecular orbitals (FMO), HPC-adapted molecular dynamic simulation (MD-HPC), and the potential of cloud computing for drug discovery. The second section delves into computational algorithms and workflows for biomedicine, featuring an HPC framework to assess drug-induced arrhythmic risk, digital patient applications relevant to the clinic, virtual human simulations, cellular and whole-body blood flow modeling for stroke treatments, prediction of the femoral bone strength from CT data, and many more subjects. Written for the highly successful Methods in Molecular Biology series, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step and readily reproducible modeling protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, High Performance Computing for Drug Discovery and Biomedicine allows a diverse audience, including computer scientists, computational and medicinal chemists, biologists, clinicians, pharmacologists and drug designers, to navigate the complex landscape of what is currently possible and to understand the challenges and future directions of HPC-based technologies.

Biological Reactive Intermediates III

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Publisher : Springer Science & Business Media
ISBN 13 : 1468451340
Total Pages : 1028 pages
Book Rating : 4.4/5 (684 download)

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Book Synopsis Biological Reactive Intermediates III by : James J. Kocsis

Download or read book Biological Reactive Intermediates III written by James J. Kocsis and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 1028 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains the proceedings of the third in a series of conferences entitled, The International Symposium on Biological Reactive Intermediates. The first was held at the University of Turku in Finland, in 1975, the second at the University of Surrey in the United Kingdom, in 1980 and the most recent at the University of Maryland in the United States, in 1985. The significance of these conferences has been emphasized by the rapid growth of mechanistic toxicology over the last decade. These conferences were initially stimulated by the attempt to uncover the significance behind the observations that the toxicity of carcinogenic responses produced by many chemicals was associated with the observation that their metabolism led to the formation of chemcially reactive electrophiles which covalently bound to nucleophilic sites in cells such as proteins, nucleic acid or fats. Recently, newer concepts have arisen which have necessitated the expansion of subjects covered by the conference. For example, the application of newer knowledge of the role of active oxygen species in reactive metabolite formation, the concept of suicide substrates, examination of the function of glutathione in cells, application of immunological techniques and molecular biological probes to the solution of toxicological problems all had an impact on the study of the biological reactive intermediates.

N-Oxidation of Drugs

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Publisher : Springer Science & Business Media
ISBN 13 : 9401131120
Total Pages : 487 pages
Book Rating : 4.4/5 (11 download)

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Book Synopsis N-Oxidation of Drugs by : P. Hlavica

Download or read book N-Oxidation of Drugs written by P. Hlavica and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 487 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Molecular Aspects of Oxidative Drug Metabolizing Enzymes

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Publisher : Springer Science & Business Media
ISBN 13 : 3642795285
Total Pages : 615 pages
Book Rating : 4.6/5 (427 download)

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Book Synopsis Molecular Aspects of Oxidative Drug Metabolizing Enzymes by : Emel Arinc

Download or read book Molecular Aspects of Oxidative Drug Metabolizing Enzymes written by Emel Arinc and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 615 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presented here are recent advances in biochemical, toxicological, and regulatory aspects of oxidative drug metabolizing enzymes. Mainly cytochrome P450-dependent and flavin-containing monooxygenases (FMO) are covered. Moreover, the book deals with genotoxicity studies and toxicological interactions of environmental chemicals and mechanisms of mutagenicity and tumor formation. The construction of genetically engineered mammalian cells for the production of a specific P450 isozyme and the application of these cell lines in drug metabolism, mutagenicity and toxicity studies are described in detail. Further, insight is provided into how a number of aquatic species cope with pollutants and their genotoxicity.

Telecom Extreme Transformation

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Publisher : CRC Press
ISBN 13 : 1000404684
Total Pages : 250 pages
Book Rating : 4.0/5 (4 download)

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Book Synopsis Telecom Extreme Transformation by : Kaveh Hushyar

Download or read book Telecom Extreme Transformation written by Kaveh Hushyar and published by CRC Press. This book was released on 2021-07-28 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt: The extreme transformation from a traditional Communication Service Provider (CSP) to a Digital Service Provider (DSP) status is covered in this book, specifically: Redefinition of the offerings of "connectivity services" to "digital services"; unification of legacy redundant networks into one; Redefinition of the measurements to customer-centric QoE for all digital and connectivity services; the Best-in-Industry processes and practices to ensure a sustainable network performance at a competitively operational efficiency; a Service-over-IP (SoIP) platform to enable the introduction of unified new services with a time-to-market urgency; the regulatory arrangement for content purification, to liberalize CSPs to become DSPs; an architecture for data mining and analytics; and a migration plan from a CSP to a DSP status. The book is recommended for telecom and digital service professionals planning to embark on transformational projects; telecom and technology equipment manufacturers to help with product development for a DSP status; institutional investors to evaluate and establish their investment decisions; telecom management consultants to help with a solid benchmark for transformation engagement; university students, majoring in telecommunication and technology products as a guide for career planning.

Miscellaneous Publication

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Publisher :
ISBN 13 :
Total Pages : 484 pages
Book Rating : 4.3/5 (352 download)

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Book Synopsis Miscellaneous Publication by :

Download or read book Miscellaneous Publication written by and published by . This book was released on 1927 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt:

3D and HD Broadband Video Networking

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Publisher : Artech House
ISBN 13 : 1608070522
Total Pages : 319 pages
Book Rating : 4.6/5 (8 download)

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Book Synopsis 3D and HD Broadband Video Networking by : Benny Bing

Download or read book 3D and HD Broadband Video Networking written by Benny Bing and published by Artech House. This book was released on 2010 with total page 319 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent years have seen an exponential increase in video and multimedia traffic transported over the Internet and broadband access networks. This timely resource addresses the key challenge facing many service providers today: effective bandwidth management for supporting high-quality video delivery. Written by a recognized expert in the field, this practical book describes ways to optimize video transmission over emerging broadband networks. Moreover, the book explores new wireless access networks that can enable video connectivity both inside and outside the residential premise.

Toxicology of Fishes

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Publisher : CRC Press
ISBN 13 : 1003825230
Total Pages : 481 pages
Book Rating : 4.0/5 (38 download)

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Book Synopsis Toxicology of Fishes by : Kristine L. Willett

Download or read book Toxicology of Fishes written by Kristine L. Willett and published by CRC Press. This book was released on 2024-03-07 with total page 481 pages. Available in PDF, EPUB and Kindle. Book excerpt: This up-to-date, comprehensive toxicology handbook is devoted to the effects of environmental pollution on fish. Fish species represent nearly half of all vertebrates and have become important sentinels for environmental contamination and model organisms for understanding adverse outcomes from exposures. This new edition is written by recognized experts, and it highlights the significant research progress in fish toxicology that has resulted from rapid technological developments in analytical, biochemical, and genomic sciences. The book: Discusses fundamental topics such as toxicokinetics in fishes, processes governing biotransformation within these organisms, and reactive oxygen species and oxidative stress Explains key target organ systems for chemical impacts in fish, such as the nervous and immune systems, and how fishes can develop resistance to chemical toxicity Covers multi-transgenerational effects on fishes, epigenetics, proteomics and metabolomics, and adverse outcome pathways Replacing the case studies in the first edition, this update delves into the impacts of microplastics, pharmaceuticals, and oil spills in dedicated final chapters. With nearly 200 illustrations and tables, this comprehensive reference work presents concepts in a way that is useful for both novices to and experts in the field of fish toxicology.

Proceedings of The 9th International Conference on Water Resource and Environment

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Publisher : Springer Nature
ISBN 13 : 9819709482
Total Pages : 486 pages
Book Rating : 4.8/5 (197 download)

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Book Synopsis Proceedings of The 9th International Conference on Water Resource and Environment by : Chih-Huang Weng

Download or read book Proceedings of The 9th International Conference on Water Resource and Environment written by Chih-Huang Weng and published by Springer Nature. This book was released on with total page 486 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Microbial Photoreceptors: Advances in Research and Application: 2011 Edition

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Author :
Publisher : ScholarlyEditions
ISBN 13 : 1464954275
Total Pages : 24 pages
Book Rating : 4.4/5 (649 download)

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Book Synopsis Microbial Photoreceptors: Advances in Research and Application: 2011 Edition by :

Download or read book Microbial Photoreceptors: Advances in Research and Application: 2011 Edition written by and published by ScholarlyEditions. This book was released on 2012-01-09 with total page 24 pages. Available in PDF, EPUB and Kindle. Book excerpt: Microbial Photoreceptors: Advances in Research and Application: 2011 Edition is a ScholarlyPaper™ that delivers timely, authoritative, and intensively focused information about Microbial Photoreceptors in a compact format. The editors have built Microbial Photoreceptors: Advances in Research and Application: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Microbial Photoreceptors in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Microbial Photoreceptors: Advances in Research and Application: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.

Departments of Labor, Health and Human Services, Education, and Related Agencies Appropriations for 2008

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Publisher :
ISBN 13 :
Total Pages : 1356 pages
Book Rating : 4.F/5 ( download)

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Book Synopsis Departments of Labor, Health and Human Services, Education, and Related Agencies Appropriations for 2008 by : United States. Congress. House. Committee on Appropriations. Subcommittee on the Departments of Labor, Health and Human Services, Education, and Related Agencies

Download or read book Departments of Labor, Health and Human Services, Education, and Related Agencies Appropriations for 2008 written by United States. Congress. House. Committee on Appropriations. Subcommittee on the Departments of Labor, Health and Human Services, Education, and Related Agencies and published by . This book was released on 2007 with total page 1356 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Characterization of Nanoparticles Intended for Drug Delivery

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Publisher : Springer Nature
ISBN 13 : 107163786X
Total Pages : 315 pages
Book Rating : 4.0/5 (716 download)

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Book Synopsis Characterization of Nanoparticles Intended for Drug Delivery by : Jeffrey D. Clogston

Download or read book Characterization of Nanoparticles Intended for Drug Delivery written by Jeffrey D. Clogston and published by Springer Nature. This book was released on with total page 315 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Light Harvesting in Photosynthesis

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Publisher : CRC Press
ISBN 13 : 1351242873
Total Pages : 778 pages
Book Rating : 4.3/5 (512 download)

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Book Synopsis Light Harvesting in Photosynthesis by : Roberta Croce

Download or read book Light Harvesting in Photosynthesis written by Roberta Croce and published by CRC Press. This book was released on 2018-01-12 with total page 778 pages. Available in PDF, EPUB and Kindle. Book excerpt: This landmark collective work introduces the physical, chemical, and biological principles underlying photosynthesis: light absorption, excitation energy transfer, and charge separation. It begins with an introduction to properties of various pigments, and the pigment proteins in plant, algae, and bacterial systems. It addresses the underlying physics of light harvesting and key spectroscopic methods, including data analysis. It discusses assembly of the natural system, its energy transfer properties, and regulatory mechanisms. It also addresses light-harvesting in artificial systems and the impact of photosynthesis on our environment. The chapter authors are amongst the field’s world recognized experts. Chapters are divided into five main parts, the first focused on pigments, their properties and biosynthesis, and the second section looking at photosynthetic proteins, including light harvesting in higher plants, algae, cyanobacteria, and green bacteria. The third part turns to energy transfer and electron transport, discussing modeling approaches, quantum aspects, photoinduced electron transfer, and redox potential modulation, followed by a section on experimental spectroscopy in light harvesting research. The concluding final section includes chapters on artificial photosynthesis, with topics such as use of cyanobacteria and algae for sustainable energy production. Robert Croce is Head of the Biophysics Group and full professor in biophysics of photosynthesis/energy at Vrije Universiteit, Amsterdam. Rienk van Grondelle is full professor at Vrije Universiteit, Amsterdam. Herbert van Amerongen is full professor of biophysics in the Department of Agrotechnology and Food Sciences at Wageningen University, where he is also director of the MicroSpectroscopy Research Facility. Ivo van Stokkum is associate professor in the Department of Physics and Astronomy, Faculty of Sciences, at Vrije Universiteit, Amsterdam.

Next-Generation Video Coding and Streaming

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Author :
Publisher : John Wiley & Sons
ISBN 13 : 1119133327
Total Pages : 344 pages
Book Rating : 4.1/5 (191 download)

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Book Synopsis Next-Generation Video Coding and Streaming by : Benny Bing

Download or read book Next-Generation Video Coding and Streaming written by Benny Bing and published by John Wiley & Sons. This book was released on 2015-10-01 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reviews the new High Efficiency Video Coding (HEVC) standard and advancements in adaptive streaming technologies for use in broadband networks and the Internet This book describes next-generation video coding and streaming technologies with a comparative assessment of the strengths and weaknesses. Specific emphasis is placed on the H.265/HEVC video coding standard and adaptive bit rate video streaming. In addition to evaluating the impact of different types of video content and powerful feature sets on HEVC coding efficiency, the text provides an in-depth study on the practical performance of popular adaptive streaming platforms and useful tips for streaming optimization. Readers will learn of new over-the-top (OTT) online TV advancements, the direction of the broadband telecommunications industry, and the latest developments that will help keep implementation costs down and maximize return on infrastructure investment. Reviews the emerging High Efficiency Video Coding (HEVC) standard and compares its coding performance with the MPEG-4 Advanced Video Coding (AVC) and MPEG-2 standards Provides invaluable insights into the intra and inter coding efficiencies of HEVC, such as the impact of hierarchical block partitioning and new prediction modes Evaluates the performance of the Apple and Microsoft adaptive streaming platforms and presents innovative techniques related to aggregate stream bandwidth prediction, duplicate chunk Includes end-of-chapter homework problems and access to instructor slides Next-Generation Video Coding and Streaming is written for students, researchers, and industry professionals working in the field of video communications. Benny Bing has worked in academia for over 20 years. He has published over 80 research papers and 12 books, and has 6 video patents licensed to industry. He has served as a technical editor for several IEEE journals and an IEEE Communications Society Distinguished lecturer. He also received the National Association of Broadcasters (NAB) Technology Innovation Award for demonstrations of advanced media technologies.

The International Bookbinder

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Publisher :
ISBN 13 :
Total Pages : 770 pages
Book Rating : 4.:/5 (31 download)

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Book Synopsis The International Bookbinder by :

Download or read book The International Bookbinder written by and published by . This book was released on 1916 with total page 770 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Mechanisms and Pathways Contributing to the Diversity of Aging across the Tree of Life

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Author :
Publisher : Frontiers Media SA
ISBN 13 : 2889746615
Total Pages : 209 pages
Book Rating : 4.8/5 (897 download)

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Book Synopsis Mechanisms and Pathways Contributing to the Diversity of Aging across the Tree of Life by : Joris Deelen

Download or read book Mechanisms and Pathways Contributing to the Diversity of Aging across the Tree of Life written by Joris Deelen and published by Frontiers Media SA. This book was released on 2022-03-11 with total page 209 pages. Available in PDF, EPUB and Kindle. Book excerpt: