Download or read book In Silico Approaches to Macromolecular Chemistry written by Minu Elizabeth Thomas and published by Elsevier. This book was released on 2023-02-28 with total page 628 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Download or read book Quantum Crystallography written by Chérif Matta and published by Walter de Gruyter GmbH & Co KG. This book was released on 2023-09-05 with total page 265 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum crystallography (QCr) is a novel scientific discipline combining quantum chemistry methods and crystal structure determination. Written by leading experts in the field, this book describes original quantum-mechanical approaches to obtain crystallographic data of enhanced value and explains how they correlate with real diffraction and scattering experiments. In particular, the book covers quantum N-representability, Clinton equations, kernel energy method (KEM), and quantum theory of atoms in molecules (QTAIM) methods and their applications in crystallographic studies. Readers will be interested in the Foreword written by Nobel Laureate Ada Yonath and the Epilogue by noted science philosopher Olimpia Lombardi.

Download or read book In Silico Approaches in Drug Design written by Osvaldo Santos Filho and published by Mdpi AG. This book was released on 2022-10-24 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This reprint is a collection of 31 original papers and four reviews, published from 2021 to 2022, focused on the application of a wide range of computational tools in medicinal chemistry projects: from molecular docking to artificial intelligence approaches. Applications of in silico tools are crucial in the early stages of drug design, such as planning more efficient and economic synthetic routes for chemical administration, screening of huge databases, as well as proposing hypotheses for probable mechanisms of action of drugs in macromolecular targets. Such endeavors are extremely complex and require the usage of modern and sophisticated approaches, such as artificial intelligence, data mining, computational molecular simulations through classical mechanics and quantum mechanics, molecular docking, chemoinformatics, applied mathematics, and biostatistics.

Download or read book Physical Methods in Macromolecular Chemistry written by Benjamin Carroll and published by . This book was released on 1972 with total page 369 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book In Silico Approaches in Drug Design written by Osvaldo Santos-Filho and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This reprint is a collection of 31 original papers and four reviews, published from 2021 to 2022, focused on the application of a wide range of computational tools in medicinal chemistry projects: from molecular docking to artificial intelligence approaches. Applications of in silico tools are crucial in the early stages of drug design, such as planning more efficient and economic synthetic routes for chemical administration, screening of huge databases, as well as proposing hypotheses for probable mechanisms of action of drugs in macromolecular targets. Such endeavors are extremely complex and require the usage of modern and sophisticated approaches, such as artificial intelligence, data mining, computational molecular simulations through classical mechanics and quantum mechanics, molecular docking, chemoinformatics, applied mathematics, and biostatistics.

Download or read book Macromolecular Chemistry 9 written by L. C. Cross and published by Elsevier. This book was released on 2013-10-22 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: Macromolecular Chemistry—9 provides information pertinent to the fundamental aspects of macromolecular chemistry. This book discusses the structure, properties, morphology, chemical reactions, and compatibility of polymers. Organized into 16 chapters, this book begins with an overview of the methods for the determination of polymer compatibility by means of the mutual solvent method and a light-scattering technique. This text then examines certain urethane systems that are suitable for application in products usually made of black reinforced rubber with cord reinforcement. Other chapters consider polycyclotrimerization as a route to the synthesis of polymers of different structures containing carbo- or hetero-cyclic rings in the chain. This book discusses as well the separation of a binary organic liquid mixture by hyperfiltration. The final chapter deals with a model for the growth of crazes in the presence of liquids. This book is a valuable resource for chemists, scientists, mechanical engineers, researchers, and laboratory workers.

Download or read book Physical Methods in Macromolecular Chemistry written by Benjamin Carroll and published by . This book was released on 1969 with total page 385 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Macromolecular Chemistry written by Valentin Gartner and published by Nova Science Publishers. This book was released on 2013 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this work, the authors present current research in the study of macromolecular chemistry. The topics covered include efficient biotechological tools on GM crops and bioinsecticide approaches; structuring polymer composites with chemically active fillers; enrichment of Sauvignon Blanc wine by heat stable wine macromolecules; protein transduction in human cells mediated by arginine-rich cell-penetrating peptides in mixed covalent and non-covalent manners; and cleavage of fibrinopeptides from fibrinogen during fibrin formation.

Download or read book New Trends in Macromolecular and Supramolecular Chemistry for Biological Applications written by Marc J.M. Abadie and published by Springer Nature. This book was released on 2021-05-26 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt: This contributed volume applies the insights of supramolecular chemistry to biomedical applications such as ions/water transport through nano-scale channels, gene therapy, tissue engineering and drug delivery, to cite some of the major investigations.The challenge is to understand the mechanisms of transport through tissues particularly in the therapeutic treatment of a disease where the active drug must be delivered directly to diseased cells without affecting healthy cells. As a result, smaller quantities of active substances can be used to treat the disease. Another interest concerns new ways to administer gene therapy. If genes are often delivered to their target cells by adapted viruses, the supramolecular non-viral ‘vectors’ using dynamic nano-frameworks and nano-structures are presented. In addition, it is important to reconstruct damaged tissues by mimicking natural processes in cells and polymers, such as tissue engineering and self-healing. Different options are here discussed: e.g. hydrogels based on chitosan, a carbohydrate polymer, are proving especially promising for tissue engineering and drug delivery. For controlled delivery of drugs or other biologically active compounds, hydrogels sensitive to the most important stimuli in the human body, such as temperature, pH, ionic strength, glucose and biomolecules released by the organism in pathological conditions have been developed. Finally, to assist and validate the experimental studies, computer modelling and simulations of large-sized molecular structures and systems using different molecular dynamics and quantum mechanical techniques are developed based on the experimental and chemistry synthesis. This book is of great interest for graduate students, researchers and health professionals interested in acquiring a better understanding of the mechanisms of medical treatments. In addition, it provides numerous tools to develop better therapies for human diseases.

Download or read book Advances in Macromolecular Chemistry written by Wallace M. Pasika and published by . This book was released on 1968 with total page 278 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Macromolecular Self Assembly written by Laurent Billon and published by John Wiley & Sons. This book was released on 2016-09-06 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes techniques of synthesis and self-assembly of macromolecules for developing new materials and improving functionality of existing ones. Because self-assembly emulates how nature creates complex systems, they likely have the best chance at succeeding in real-world biomedical applications. • Employs synthetic chemistry, physical chemistry, and materials science principles and techniques • Emphasizes self-assembly in solutions (particularly, aqueous solutions) and at solid-liquid interfaces • Describes polymer assembly driven by multitude interactions, including solvophobic, electrostatic, and obligatory co-assembly • Illustrates assembly of bio-hybrid macromolecules and applications in biomedical engineering

Download or read book Macromolecules written by H.G. Elias and published by Springer. This book was released on 2013-11-11 with total page 842 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second edition of this textbook is identical with its fourth German edi tion and it thus has the same goals: precise definition of basic phenomena, a broad survey of the whole field, integrated representation of chemistry, physics, and technology, and a balanced treatment of facts and comprehen sion. The book thus intends to bridge the gap between the often oversimpli fied introductory textbooks and the highly specialized texts and monographs that cover only parts of macromolecular science. The text intends to survey the whole field of macromolecular science. Its organization results from the following considerations. The chemical structure of macromolecular compounds should be inde pendent of the method of synthesis, at least in the ideal case. Part I is thus concerned with the chemical and physical structure of polymers. Properties depend on structure. Solution properties are thus discussed in Part II, solid state properties in Part III. There are other reasons for dis cussing properties before synthesis: For example, it is difficult to understand equilibrium polymerization without knowledge of solution thermodynamics, the gel effect without knowledge of the glass transition temperature, etc. Part IV treats the principles of macromolecular syntheses and reactions.

Download or read book Linear Scaling Techniques in Computational Chemistry and Physics written by Robert Zaleśny and published by Springer Science & Business Media. This book was released on 2011-03-21 with total page 522 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Linear-Scaling Techniques in Computational Chemistry and Physics" summarizes recent progresses in linear-scaling techniques and their applications in chemistry and physics. In order to meet the needs of a broad community of chemists and physicists, the book focuses on recent advances that extended the scope of possible exploitations of the theory. The first chapter provides an overview of the present state of the linear-scaling methodologies and their applications, outlining hot topics in this field, and pointing to expected developments in the near future. This general introduction is then followed by several review chapters written by experts who substantially contributed to recent developments in this field. The purpose of this book is to review, in a systematic manner, recent developments in linear-scaling methods and their applications in computational chemistry and physics. Great emphasis is put on the theoretical aspects of linear-scaling methods. This book serves as a handbook for theoreticians, who are involved in the development of new efficient computational methods as well as for scientists, who are using the tools of computational chemistry and physics in their research.

Download or read book In Silico Drug Discovery and Design written by Claudio N. Cavasotto and published by CRC Press. This book was released on 2015-08-06 with total page 558 pages. Available in PDF, EPUB and Kindle. Book excerpt: In Silico Drug Discovery and Design: Theory, Methods, Challenges, and Applications provides a comprehensive, unified, and in-depth overview of the current methodological strategies in computer-aided drug discovery and design. Its main aims are to introduce the theoretical framework and algorithms, discuss the range of validity, strengths and limita

Download or read book In Silico Methods for Drug Design and Discovery written by Simone Brogi and published by Frontiers Media SA. This book was released on 2020-10-09 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.

Download or read book In Silico Lead Discovery written by Maria A. Miteva and published by Bentham Science Publishers. This book was released on 2011 with total page 201 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer-aided drug design and in silico screening have contributed to the discovery of several compounds that have either reached the market or entered clinical trials. In silico Lead Discovery is a compilation of the efforts of several experts on bioinf

Download or read book Macromolecular Chemistry written by and published by . This book was released on 1973 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: