Skip to main content

Emerging Alternatives In Fragment Based In Silico Design

In Order to Read Online or Download Emerging Alternatives In Fragment Based In Silico Design Full eBooks in PDF, EPUB, Tuebl and Mobi you need to create a Free account. Get any books you like and read everywhere you want. Fast Download Speed ~ Commercial & Ad Free. We cannot guarantee that every book is in the library!

Frontiers in Drug Design and Discovery

Frontiers in Drug Design and Discovery Book
Author : Atta-ur- Rahman,Gary W. Caldwell, M. Iqbal Choudhary,Mark R. Player
Publisher : Bentham Science Publishers
Release : 2010-12-13
ISBN : 160805201X
Language : En, Es, Fr & De

GET BOOK

Book Description :

"Frontiers in Drug Design and Discovery" is an Ebook series devoted to publishing the latest and the most important advances in drug design and discovery. Eminent scientists write contributions on all areas of rational drug design and drug discovery inclu

Science of Synthesis Biocatalysis in Organic Synthesis Vol 2

Science of Synthesis  Biocatalysis in Organic Synthesis Vol  2 Book
Author : Anonim
Publisher : Georg Thieme Verlag
Release : 2015-03-11
ISBN : 313176631X
Language : En, Es, Fr & De

GET BOOK

Book Description :

The three Science of Synthesis volumes on "Biocatalysis in Organic Synthesis" are designed to present the new possibilities offered by modern biocatalysis to the nonspecialist academic and industrial readership who are involved in practical organic synthesis. The goal of the reference work is to help start a new wave of enthusiasm for biocatalysis in the broader community and to give an overview of the field. As is the case with all of the Science of Synthesis volumes, "Biocatalysis in Organic Synthesis" offers critical reviews of organic transformations by experts, including typical or general experimental procedures. The content organization of the three volumes is based on the type of reaction performed under biocatalysis. Volume 2 covers reactions involving the formation of C-C bonds. Addition of carbon nucleophiles at C-O and C-N double bonds are reviewed, as are methods for the formation of C-C bonds at arenes and additions to C-C double bonds. Other chapters present transamination and reductive amination reactions, reduction of carbonyl compounds, and the chemistry of epoxides

Science of Synthesis Biocatalysis in Organic Synthesis Vol 1

Science of Synthesis  Biocatalysis in Organic Synthesis Vol  1 Book
Author : Anonim
Publisher : Georg Thieme Verlag
Release : 2015-03-11
ISBN : 3131766115
Language : En, Es, Fr & De

GET BOOK

Book Description :

The three Science of Synthesis volumes on "Biocatalysis in Organic Synthesis" are designed to present the new possibilities offered by modern biocatalysis to the nonspecialist academic and industrial readership who are involved in practical organic synthesis. The goal of the reference work is to help start a new wave of enthusiasm for biocatalysis in the broader community and to give an overview of the field. As is the case with all of the Science of Synthesis volumes, "Biocatalysis in Organic Synthesis" offers critical reviews of organic transformations by experts, including typical or general experimental procedures. The content organization of the three volumes is based on the type of reaction performed under biocatalysis. Volume 1 begins with chapters discussing the historical development of the field, sources of enzymes and appropriate selection of catalysts, and general strategies employed in biocatalysis. This is followed by reviews of the biocatalytic hydrolysis of various substrates. The volume concludes with chapters devoted to biocatalytic isomerizations, and the synthesis of glycosides.

The Handbook of Metabolic Phenotyping

The Handbook of Metabolic Phenotyping Book
Author : John C. Lindon,Jeremy K. Nicholson,Elaine Holmes
Publisher : Elsevier
Release : 2018-10-04
ISBN : 0128122943
Language : En, Es, Fr & De

GET BOOK

Book Description :

The Handbook of Metabolic Phenotyping is the definitive work on the rapidly developing subject of metabolic phenotyping. It explores in detail the wide array of analytical chemistry and statistical modeling techniques used in the field, coupled with surveys of the various application areas in human development, nutrition, disease, therapy, and epidemiology to create a comprehensive exploration of the area of study. It covers recent studies that integrate the various -omics data sets to derive a systems biology view. It also addresses current issues on standardization, assay and statistics validation, and data storage and sharing. Written by experts with many years of practice in the field who pioneered many of the approaches widely used today, The Handbook of Metabolic Phenotyping is a valuable resource for postgrads and research scientists studying and furthering the field of metabolomics. Contains theoretical and practical explanations of all the main analytical chemistry techniques used in metabolic phenotyping Explores, in detail, the many diverse statistical approaches used in the field Offers practical tips for successfully conducting metabolic phenotyping studies Features reviews of all of the various fields of activity relating to human studies

Chemoinformatics Approaches to Virtual Screening

Chemoinformatics Approaches to Virtual Screening Book
Author : Alexandre Varnek,Alexander Tropsha
Publisher : Unknown
Release : 2008
ISBN : 9781847558879
Language : En, Es, Fr & De

GET BOOK

Book Description :

Chemoinformatics is broadly a scientific discipline encompassing the design, creation, organization, management, retrieval, analysis, dissemination, visualization and use of chemical information. It is distinct from other computational molecular modeling approaches in that it uses unique representations of chemical structures in the form of multiple chemical descriptors; has its own metrics for defining similarity and diversity of chemical compound libraries; and applies a wide array of statistical, data mining and machine learning techniques to very large collections of chemical compounds in order to establish robust relationships between chemical structure and its physical or biological properties. Chemoinformatics addresses a broad range of problems in chemistry and biology; however, the most commonly known applications of chemoinformatics approaches have been arguably in the area of drug discovery where chemoinformatics tools have played a central role in the analysis and interpretation of structure-property data collected by the means of modern high throughput screening.Early stages in modern drug discovery often involved screening small molecules for their effects on a selected protein target or a model of a biological pathway. In the past fifteen years, innovative technologies that enable rapid synthesis and high throughput screening of large libraries of compounds have been adopted in almost all major pharmaceutical and biotech companies. As a result, there has been a huge increase in the number of compounds available on a routine basis to quickly screen for novel drug candidates against new targets/pathways. In contrast, such technologies have rarely become available to the academic research community, thus limiting its ability to conduct large scale chemical genetics or chemical genomics research. However, the landscape of publicly available experimental data collection methods for chemoinformatics has changed dramatically in very recent years. The term virtual screening is commonly associated with methodologies that rely on the explicit knowledge of three-dimensional structure of the target protein to identify potential bioactive compounds.Traditional docking protocols and scoring functions rely on explicitly defined three dimensional coordinates and standard definitions of atom types of both receptors and ligands. Albeit reasonably accurate in many cases, conventional structure based virtual screening approaches are relatively computationally inefficient, which has precluded them from screening really large compound collections. Significant progress has been achieved over many years of research in developing many structure based virtual screening approaches. This book is the first monograph that summarizes innovative applications of efficient chemoinformatics approaches towards the goal of screening large chemical libraries. The focus on virtual screening expands chemoinformatics beyond its traditional boundaries as a synthetic and data-analytical area of research towards its recognition as a predictive and decision support scientific discipline.The approaches discussed by the contributors to the monograph rely on chemoinformatics concepts such as: -representation of molecules using multiple descriptors of chemical structures -advanced chemical similarity calculations in multidimensional descriptor spaces -the use of advanced machine learning and data mining approaches for building quantitative and predictive structure activity models -the use of chemoinformatics methodologies for the analysis of drug-likeness and property prediction -the emerging trend on combining chemoinformatics and bioinformatics concepts in structure based drug discovery The chapters of the book are organized in a logical flow that a typical chemoinformatics project would follow - from structure representation and comparison to data analysis and model building to applications of structure-property relationship models for hit identification and chemical library design. It opens with the overview of modern methods of compounds library design, followed by a chapter devoted to molecular similarity analysis. Four sections describe virtual screening based on the using of molecular fragments, 2D pharmacophores and 3D pharmacophores.Application of fuzzy pharmacophores for libraries design is the subject of the next chapter followed by a chapter dealing with QSAR studies based on local molecular parameters. Probabilistic approaches based on 2D descriptors in assessment of biological activities are also described with an overview of the modern methods and software for ADME prediction. The book ends with a chapter describing the new approach of coding the receptor binding sites and their respective ligands in multidimensional chemical descriptor space that affords an interesting and efficient alternative to traditional docking and screening techniques. Ligand-based approaches, which are in the focus of this work, are more computationally efficient compared to structure-based virtual screening and there are very few books related to modern developments in this field. The focus on extending the experiences accumulated in traditional areas of chemoinformatics research such as Quantitative Structure Activity Relationships (QSAR) or chemical similarity searching towards virtual screening make the theme of this monograph essential reading for researchers in the area of computer-aided drug discovery.However, due to its generic data-analytical focus there will be a growing application of chemoinformatics approaches in multiple areas of chemical and biological research such as synthesis planning, nanotechnology, proteomics, physical and analytical chemistry and chemical genomics.

Methods and Algorithms for Molecular Docking Based Drug Design and Discovery

Methods and Algorithms for Molecular Docking Based Drug Design and Discovery Book
Author : Dastmalchi, Siavoush
Publisher : IGI Global
Release : 2016-05-03
ISBN : 1522501169
Language : En, Es, Fr & De

GET BOOK

Book Description :

The role of technology in the medical field has resulted in significant developments within the pharmaceutical industry. Computational approaches have emerged as a crucial method in further advancing drug design and development. Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery presents emerging research on the application of computer-assisted design methods for drugs, emphasizing the benefits and improvements that molecular docking has caused within the pharmaceutical industry. Focusing on validation methods, search algorithms, and scoring functions, this book is a pivotal resource for professionals, researchers, students, and practitioners in the field of theoretical and computational chemistry.

Drug Design Strategies

Drug Design Strategies Book
Author : David J. Livingstone,Andrew M. Davis
Publisher : Royal Society of Chemistry
Release : 2011-11
ISBN : 1849731667
Language : En, Es, Fr & De

GET BOOK

Book Description :

Shows how different parts of the drug discovery process have developed, with particular emphasis on quantitative aspects and possible future progress.

Intrinsically Disordered Proteins

Intrinsically Disordered Proteins Book
Author : Anonim
Publisher : Academic Press
Release : 2018-11-21
ISBN : 0128156503
Language : En, Es, Fr & De

GET BOOK

Book Description :

Intrinsically Disordered Proteins, Volume 611, the latest release in the Methods in Enzymology series, highlights new advances in the field, with this new volume presenting interesting chapters on topics of interest, including the Characterization of Structure-Function relationships in the intrinsically disordered protein complexin, Distances, distance distributions, and ensembles of IDPs from single-molecule FRET, Biophysical characterization of disordered protein liquid phases, The Use of Mass Spectrometry to Examine IDPs – Unique Insights and Caveats, Fluorescence Depolarization Kinetics to Study Conformational Preference, Structural Plasticity and Membrane Binding of Intrinsically Disordered Proteins, Characterizing the Function of Intrinsically Disordered Proteins in the Circadian Clock, and more. Breadth of experimental approaches and systems that will be covered The expertise of the contributors writing the articles

Drug Discovery and Development

Drug Discovery and Development Book
Author : Vishwanath Gaitonde,Partha Karmakar,Ashit Trivedi
Publisher : BoD – Books on Demand
Release : 2020-03-11
ISBN : 1789239753
Language : En, Es, Fr & De

GET BOOK

Book Description :

The process of drug discovery and development is a complex multistage logistics project spanned over 10-15 years with an average budget exceeding 1 billion USD. Starting with target identification and synthesizing anywhere between 10k to 15k synthetic compounds to potentially obtain the final drug that reaches the market involves a complicated maze with multiple inter- and intra-operative fields. Topics described in this book emphasize the progresses in computational applications, pharmacokinetics advances, and molecular modeling developments. In addition the book also contains special topics describing target deorphaning in Mycobacterium tuberculosis, therapy treatment of some rare diseases, and developments in the pediatric drug discovery process.

At the Crossroads Between Nutrition and Pharmacology

At the Crossroads Between Nutrition and Pharmacology Book
Author : M. Victorina Aguilar and Cristina Otero
Publisher : Bentham Science Publishers
Release : 2017-05-17
ISBN : 1681084295
Language : En, Es, Fr & De

GET BOOK

Book Description :

Functional foods (foods with known bioactive properties) have shown potential for preventive and therapeutic treatments. However, this potential must be safely determined before they enter the commercial market. At the same time, nutrition research is transforming into a data driven field with reference to the identification and development of functional food products due to the large number of variables affecting food biochemistry in the human body. This volume presents reviews of recent advances in food chemistry, food technology and nutraceutical research (for diet therapy and cosmetics). Chapters in this volume cover a broad spectrum of topics: - drug discovery and development in the modern nutraceutical industry, - recent developments in the extraction, identification and quantification of bioactive peptides in foods, - concepts of bioavailability, bioaccessibility, bioactivity, bioefficiency and bioconversion of bioactive foods, - synthetic routes for obtaining bioactive compounds, - the role of nutrigenomics to identify key cellular functions by specific genetic and epigenetic interactions with a nutrient, - anti-cancer properties of important bioactive components of medicinal plants, - the effect of a diet based on different bioactive foods on prevention and treatment of diabetes, - antioxidant effects on cardiovascular disease, - beneficial effects of bioactive foods on metabolic syndrome, - the potential of tauroursodeoxycholic acid on prevention and recovery of neurodegenerative diseases, - the effects of natural phytochemicals in prostate cancer, - the effects of methylxanthines (caffeine and others), and culinary methods on physiological and toxicological effects of the bioactive food constituents. The volume is an ideal reference for pharmacy students, nutritionists, healthcare providers and nutraceutical R&D specialists interested in functional foods. [Series Intro] Frontiers in Bioactive Compounds brings edited reviews on the analysis and characterization of natural compounds of medicinal interest. Each volume covers useful information on a variety of natural sources as well as analytical techniques. This series is essential reading for analytical and medicinal chemists as well as professionals involved in natural and pharmaceutical product research and development.

Defining the Urban

Defining the Urban Book
Author : Deljana Iossifova,Christopher N.H Doll,Alexandros Gasparatos
Publisher : Routledge
Release : 2017-10-06
ISBN : 1317153499
Language : En, Es, Fr & De

GET BOOK

Book Description :

What is "urban"? How can it be described and contextualised? How is it used in theory and practice? Urban processes feature in key international policy and practice discourses. They are at the core of research agendas across traditional academic disciplines and emerging interdisciplinary fields. However, the concept of "the urban" remains highly contested, both as material reality and imaginary construct. The urban remains imprecisely defined. Defining the Urban is an indispensable guide for the urban transdisciplinary thinker and practitioner. Parts I and II focus on how "Academic Disciplines" and "Professional Practices," respectively, understand and engage with the urban. Included, among others, are Architecture, Ecology, Governance and Sociology. Part III, "Emerging Approaches," outlines how elements from theory and practice combine to form transdisciplinary tools and perspectives. Written by eminent experts in their respective fields, Defining the Urban provides a stepping stone for the development of a common language—a shared ontology—in the disjointed fields of urban research and practice. It is a comprehensive and accessible resource for anyone with an interest in understanding how urban scholars and practitioners can work together on this complex theme.

Artificial Intelligence in Chemistry

Artificial Intelligence in Chemistry Book
Author : José S. Torrecilla,John C. Cancilla,Jose Omar Valderrama,Charalampos Vasilios Proestos
Publisher : Frontiers Media SA
Release : 2020-07-17
ISBN : 2889638707
Language : En, Es, Fr & De

GET BOOK

Book Description :

Download Artificial Intelligence in Chemistry book written by José S. Torrecilla,John C. Cancilla,Jose Omar Valderrama,Charalampos Vasilios Proestos, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Functionalized Nanomaterials

Functionalized Nanomaterials Book
Author : Vineet Kumar,Praveen Guleria,Nandita Dasgupta,Shivendu Ranjan
Publisher : CRC Press
Release : 2021-07-28
ISBN : 1000367207
Language : En, Es, Fr & De

GET BOOK

Book Description :

Nanomaterials contain some unique properties due to their nanometric size and surface functionalization. Nanomaterial functionalization also affects their compatibility to biocompatibility and toxicity behaviors. environment and living organism. This makes functionalized nanomaterials a material with huge scope and few challenges. This book provides detailed information about the nanomaterial functionalization and their application. Recent advancements, challenges and opportunities in the preparation and applications of functionalized nanomaterials are also highlighted. This book can serve as a reference book for scientific investigators, doctoral and post-doctoral scholars; undergrad and grad. This book is very useful for multidisciplinary researchers, industry personnel’s, journalists, and policy makers. Features: Covers all aspects of Nanomaterial functionalization and its applications Describes and methods of functionalized nanomaterials synthesis for different applications Discusses the challenges, recent findings, and cutting-edge global research trends on functionalization of nanomaterials and its applications It discusses the regulatory frameworks for the safe use of functionalized nanomaterials. It contains contributions from international experts from multiple disciplines.

Functionalized Nanomaterials II

Functionalized Nanomaterials II Book
Author : Vineet Kumar,Praveen Guleria,Nandita Dasgupta,Shivendu Ranjan
Publisher : CRC Press
Release : 2021-04-12
ISBN : 1351021370
Language : En, Es, Fr & De

GET BOOK

Book Description :

The functionalization of nanomaterials provides them with some unique properties, making the same nanomaterial amenable for various applications by simply manipulating functional components. However, functionalized nanomaterials also face some challenges, along with some encouraging new applications in the future. This book provides a detailed account of applications of the functionalization of nanomaterials. This book can serve as a reference book for scientific investigators, including doctoral and post-doctoral scholars and undergraduate and graduate students, in context with the scope of applications of functionalized nanomaterials. It also highlights recent advances, challenges, and opportunities in the application of nanomaterials. This book will provide critical and comparative data for nanotechnologists. It may also be beneficial for multidisciplinary researchers, industry personnel, journalists, policy makers, and the common public to understand the scope of functionalized nanomaterials in detail and in depth. Features: This book covers various applications of functionalized nanomaterials. It discusses recent global research trends and future applications of functionalized nanomaterials. It highlights the need for more rigorous regulatory frameworks for the safe use of functionalized nanomaterials. It contains contributions from international experts and will be a valuable resource for researchers.