Nanotechnology and In Silico Tools
Nanotechnology and In Silico Tools

Author: Mital Kaneria

Publisher: Elsevier

Published: 2023-07-09

Total Pages: 410

ISBN-13: 0443154589

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Nanotechnology and In Silico Tools: Natural Remedies and Drug Discovery provides the latest information and updates in the area of drug discovery. It covers aspects like nanomedicines, bioinformatics, molecular docking, molecular modeling, QSAR, virtual screening and computational chemistry as well as metabolomics research using various tools. The drug discovery process accelerates the design of new leads for various life-threatening diseases and natural medicines. Silico tools have been an integral part of the drug discovery process, playing a major role as a template for drug discovery and offering a holistic approach to better management of various diseases. Nanotechnology and In Silico Tools: Natural Remedies and Drug Discovery combines the principles of natural medicines with refined modern technology to help chemists in the development of a more ecofriendly, and effective discovery process. Combines principles of natural medicines with refined modern technology Provides the latest updates on drug discovery Covers technologies for synthetic products that can be applied for the investigation of plant-derived natural remedies

ß-barrel Channel Proteins as Tools in Nanotechnology
ß-barrel Channel Proteins as Tools in Nanotechnology

Author: Marco Fioroni

Publisher: Springer Science & Business Media

Published: 2013-11-04

Total Pages: 178

ISBN-13: 940077429X

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ß-barrel outer membrane channel proteins (OMP) are useful as robust and flexible models or components in nanotechnology. Over the last decade biotechnological techniques allowed to expand the natural characteristics of OMPs by modifying their geometry and properties. The present book is oriented towards a broad group of readers including graduate students and advanced researchers. It gives a general introduction to the field of OMP based nano-component development as well as the state of the art of the involved research. On the example of the E. coli FhuA the transformation of an OMP into a tailored nano-channel will be outlined. An exhaustive description of the scientific strategy, including protein selection, analytical methods and “in-silico” tools to support the planning of protein modifications for a targeted application, consideration on the production of a custom made OMP, and an overview on technological applications including membrane/polymersome technology, will be provided.

In Silico Chemistry and Biology
In Silico Chemistry and Biology

Author: Girish Kumar Gupta

Publisher: Walter de Gruyter GmbH & Co KG

Published: 2022-05-09

Total Pages: 274

ISBN-13: 3110492458

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In Silico Chemistry and Biology: Current and Future Prospects provides a compact overview on recent advances in this highly dynamic branch of chemistry. Various methods of protein modelling and computer-assisted drug design are presented, including fragment- and ligand-based approaches. Many successful practical applications of these techniques are demonstrated. The authors also look to the future and describe the main challenges of the field.

Multiscale Modeling of Particle Interactions
Multiscale Modeling of Particle Interactions

Author: Michael King

Publisher: John Wiley & Sons

Published: 2010-03-30

Total Pages: 398

ISBN-13: 047057982X

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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.

Modeling, Methodologies and Tools for Molecular and Nano-scale Communications
Modeling, Methodologies and Tools for Molecular and Nano-scale Communications

Author: Junichi Suzuki

Publisher: Springer

Published: 2017-03-15

Total Pages: 584

ISBN-13: 3319506889

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This book reports on cutting-edge modeling techniques, methodologies and tools used to understand, design and engineer nanoscale communication systems, such as molecular communication systems. Moreover, it includes introductory materials for those who are new to the field. The book’s interdisciplinary approach, which merges perspectives in computer science, the biological sciences and nanotechnology, will appeal to graduate students and researchers in these three areas.The book is organized into five parts, the first of which describes the fundamentals of molecular communication, including basic concepts, models and designs. In turn, the second part examines specific types of molecular communication found in biological systems, such as neuronal communication in the brain. The book continues by exploring further types of nanoscale communication, such as fluorescence resonance energy transfer and electromagnetic-based nanoscale communication, in the third part, and by describing nanomaterials and structures for practical applications in the fourth. Lastly, the book presents nanomedical applications such as targeted drug delivery and biomolecular sensing.

Multiscale Modeling of Particle Interactions
Multiscale Modeling of Particle Interactions

Author: Michael King

Publisher: Wiley

Published: 2010-03-22

Total Pages: 388

ISBN-13: 9780470242353

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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.

Unbounding the Future
Unbounding the Future

Author: K. Eric Drexler

Publisher: New York : Morrow

Published: 1991

Total Pages: 312

ISBN-13:

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Examines the field of medicine, toxic waste, and production relating how they will revolutionize life in the future.

3D DNA Nanostructure
3D DNA Nanostructure

Author: Yonggang Ke

Publisher: Humana

Published: 2016-11-04

Total Pages: 0

ISBN-13: 9781493964529

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This detailed volume presents a comprehensive technical overview of DNA nanotechnology with an emphasis on 3D DNA nanostructure design and applications. Coverage spans from basic design principles for DNA and RNA nanostructures to their cutting-edge applications in a variety of fields, with the book divided into basic DNA and RNA nanostructure design strategies as well as applications utilizing DNA nanostructures, including but not limited to nanomedicine, bioimaging, biosensing, nanoplasmonics, nanoelectronics, nanofabrication, crystallography, biophysics, and analytical chemistry. Written for the highly successful Methods in Molecular Biology series, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Comprehensive and authoritative, 3D DNA Nanostructure: Methods and Protocols provides the most up-to-date tutorial style overviews and technical style protocols to benefit researchers in a wide variety of areas.

In-Silico Approaches to Macromolecular Chemistry
In-Silico Approaches to Macromolecular Chemistry

Author: Minu Elizabeth Thomas

Publisher: Elsevier

Published: 2023-02-28

Total Pages: 628

ISBN-13: 0323909965

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Computational approaches offer researchers unique insights into the structure, characteristics, and properties of macromolecules. However, with applications across a broad range of areas, various methods have been developed for exploring macromolecules in in silico; therefore, it can be difficult for researchers to select the most appropriate method for their specific needs. Covering both biopolymers and synthetic polymers, In-Silico Approaches to Macromolecular Chemistry familiarizes readers with the theoretical tools and software appropriate for such studies. In addition to providing essential background knowledge on both computational tools and macromolecules, the book presents in-depth studies of in silico macromolecule chemistry, discusses and compares these with experimental studies, and highlights the future potential for such approaches. Written by specialists in their respective fields, this book helps students, researchers, and industry professionals gain a clear overview of the field, and furnishes them with the knowledge needed to understand and select the most appropriate tools for conducting and analyzing computational studies. Highlights in silico studies of both bio and synthetic macromolecules in one book Supports both learners and experts though a combination of detailed guidance and perspectives on the future potential for in silico approaches to macromolecules Familiarizes readers with theoretical tools and software helping them select the best approach for their specific needs

Computational Nanotechnology Using Finite Difference Time Domain
Computational Nanotechnology Using Finite Difference Time Domain

Author: Sarhan M. Musa

Publisher: CRC Press

Published: 2017-12-19

Total Pages: 402

ISBN-13: 1466583622

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The Finite Difference Time Domain (FDTD) method is an essential tool in modeling inhomogeneous, anisotropic, and dispersive media with random, multilayered, and periodic fundamental (or device) nanostructures due to its features of extreme flexibility and easy implementation. It has led to many new discoveries concerning guided modes in nanoplasmonic waveguides and continues to attract attention from researchers across the globe. Written in a manner that is easily digestible to beginners and useful to seasoned professionals, Computational Nanotechnology Using Finite Difference Time Domain describes the key concepts of the computational FDTD method used in nanotechnology. The book discusses the newest and most popular computational nanotechnologies using the FDTD method, considering their primary benefits. It also predicts future applications of nanotechnology in technical industry by examining the results of interdisciplinary research conducted by world-renowned experts. Complete with case studies, examples, supportive appendices, and FDTD codes accessible via a companion website, Computational Nanotechnology Using Finite Difference Time Domain not only delivers a practical introduction to the use of FDTD in nanotechnology but also serves as a valuable reference for academia and professionals working in the fields of physics, chemistry, biology, medicine, material science, quantum science, electrical and electronic engineering, electromagnetics, photonics, optical science, computer science, mechanical engineering, chemical engineering, and aerospace engineering.