In Silico

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In Silico Drug Design

Author : Kunal Roy
Publisher : Academic Press
ISBN 13 : 0128163771
Total Pages : 888 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis In Silico Drug Design by : Kunal Roy

Download or read book In Silico Drug Design written by Kunal Roy and published by Academic Press. This book was released on 2019-02-12 with total page 888 pages. Available in PDF, EPUB and Kindle. Book excerpt: In Silico Drug Design: Repurposing Techniques and Methodologies explores the application of computational tools that can be utilized for this approach. The book covers theoretical background and methodologies of chem-bioinformatic techniques and network modeling and discusses the various applied strategies to systematically retrieve, integrate and analyze datasets from diverse sources. Other topics include in silico drug design methods, computational workflows for drug repurposing, and network-based in silico screening for drug efficacy. With contributions from experts in the field and the inclusion of practical case studies, this book gives scientists, researchers and R&D professionals in the pharmaceutical industry valuable insights into drug design. - Discusses the theoretical background and methodologies of useful techniques of cheminformatics and bioinformatics that can be applied for drug repurposing - Offers case studies relating to the in silico modeling of FDA-approved drugs for the discovery of antifungal, anticancer, antiplatelet agents, and for drug therapies against diseases - Covers tools and databases that can be utilized to facilitate in silico methods for drug repurposing

In Silico Medicinal Chemistry

Author : Nathan Brown
Publisher : Royal Society of Chemistry
ISBN 13 : 1782622608
Total Pages : 232 pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis In Silico Medicinal Chemistry by : Nathan Brown

Download or read book In Silico Medicinal Chemistry written by Nathan Brown and published by Royal Society of Chemistry. This book was released on 2015-10-30 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covering computational tools in drug design using techniques from chemoinformatics, molecular modelling and computational chemistry, this book explores these methodologies and applications of in silico medicinal chemistry. The first part of the book covers molecular representation methods in computing in terms of chemical structure, together with guides on common structure file formats. The second part examines commonly used classes of molecular descriptors. The third part provides a guide to statistical learning methods using chemical structure data, covering topics such as similarity searching, clustering and diversity selection, virtual library design, ligand docking and de novo design. The final part of the book summarises the application of methods to the different stages of drug discovery, from target ID, through hit finding and hit-to-lead, to lead optimisation. This book is a practical introduction to the subject for researchers new to the fields of chemoinformatics, molecular modelling and computational chemistry.

In Silico Dreams

Author : Brian S. Hilbush
Publisher : John Wiley & Sons
ISBN 13 : 1119745632
Total Pages : 301 pages
Book Rating : 4.1/5 (197 download)

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Book Synopsis In Silico Dreams by : Brian S. Hilbush

Download or read book In Silico Dreams written by Brian S. Hilbush and published by John Wiley & Sons. This book was released on 2021-07-28 with total page 301 pages. Available in PDF, EPUB and Kindle. Book excerpt: Learn how AI and data science are upending the worlds of biology and medicine In Silico Dreams: How Artificial Intelligence and Biotechnology Will Create the Medicines of the Future delivers an illuminating and fresh perspective on the convergence of two powerful technologies: AI and biotech. Accomplished genomics expert, executive, and author Brian Hilbush offers readers a brilliant exploration of the most current work of pioneering tech giants and biotechnology startups who have already started disrupting healthcare. The book provides an in-depth understanding of the sources of innovation that are driving the shift in the pharmaceutical industry away from serendipitous therapeutic discovery and toward engineered medicines and curative therapies. In this fascinating book, you'll discover: An overview of the rise of data science methods and the paradigm shift in biology that led to the in silico revolution An outline of the fundamental breakthroughs in AI and deep learning and their applications across medicine A compelling argument for the notion that AI and biotechnology tools will rapidly accelerate the development of therapeutics A summary of innovative breakthroughs in biotechnology with a focus on gene editing and cell reprogramming technologies for therapeutic development A guide to the startup landscape in AI in medicine, revealing where investments are poised to shape the innovation base for the pharmaceutical industry Perfect for anyone with an interest in scientific topics and technology, In Silico Dreams also belongs on the bookshelves of decision-makers in a wide range of industries, including healthcare, technology, venture capital, and government.

Photosynthesis in silico

Author : Agu Laisk
Publisher : Springer Science & Business Media
ISBN 13 : 1402092377
Total Pages : 514 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Photosynthesis in silico by : Agu Laisk

Download or read book Photosynthesis in silico written by Agu Laisk and published by Springer Science & Business Media. This book was released on 2009-06-19 with total page 514 pages. Available in PDF, EPUB and Kindle. Book excerpt: Photosynthesis in silico: Understanding Complexity from Molecules to Ecosystems is a unique book that aims to show an integrated approach to the understanding of photosynthesis processes. In this volume - using mathematical modeling - processes are described from the biophysics of the interaction of light with pigment systems to the mutual interaction of individual plants and other organisms in canopies and large ecosystems, up to the global ecosystem issues. Chapters are written by 44 international authorities from 15 countries. Mathematics is a powerful tool for quantitative analysis. Properly programmed, contemporary computers are able to mimic complicated processes in living cells, leaves, canopies and ecosystems. These simulations - mathematical models - help us predict the photosynthetic responses of modeled systems under various combinations of environmental conditions, potentially occurring in nature, e.g., the responses of plant canopies to globally increasing temperature and atmospheric CO2 concentration. Tremendous analytical power is needed to understand nature's infinite complexity at every level.

Targeted Cancer Treatment in Silico

Author : Natalia L. Komarova
Publisher : Springer Science & Business Media
ISBN 13 : 1461483018
Total Pages : 235 pages
Book Rating : 4.4/5 (614 download)

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Book Synopsis Targeted Cancer Treatment in Silico by : Natalia L. Komarova

Download or read book Targeted Cancer Treatment in Silico written by Natalia L. Komarova and published by Springer Science & Business Media. This book was released on 2013-11-19 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt: Countless medical researchers over the past century have been occupied by the search for a cure of cancer. So far, they have developed and implemented a wide range of treatment techniques, including surgery, chemo- and radiotherapy, antiangiogenic drugs, small molecule inhibitors, and oncolytic viruses. However, patterns of these treatments' effectiveness remain largely unclear, and a better understanding of how cancer therapies work has become a key research goal. Cancer Treatment in Silico provides the first in-depth study of approaching this understanding by modeling cancer treatments, both mathematically and through computer simulations. The main goal of this book is to help expose students and researchers to in silico methods of studying cancer. It is intended for both the applied mathematics and experimental oncology communities, as mathematical models are playing an increasingly important role to supplement laboratory biology in the fight against cancer. Written at a level that generally requires little technical background, the work will be a valuable resource for scientists and students alike.

In Silico Methods for Predicting Drug Toxicity

Author : Emilio Benfenati
Publisher : Humana
ISBN 13 : 9781071619599
Total Pages : 680 pages
Book Rating : 4.6/5 (195 download)

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Book Synopsis In Silico Methods for Predicting Drug Toxicity by : Emilio Benfenati

Download or read book In Silico Methods for Predicting Drug Toxicity written by Emilio Benfenati and published by Humana. This book was released on 2022-03-21 with total page 680 pages. Available in PDF, EPUB and Kindle. Book excerpt: This fully updated book explores all-new and revised protocols involving the use of in silico models, particularly with regard to pharmaceuticals. Divided into five sections, the volume covers the modeling of pharmaceuticals in the body, toxicity data for modeling purposes, in silico models for multiple endpoints, a number of platforms for evaluating pharmaceuticals, as well as an exploration of challenges, both scientific and sociological. Written for the highly successful Methods in Molecular Biology series, chapters include the kind of detail and implementation advice necessary for successful results. Authoritative and comprehensive, In Silico Methods for Predicting Drug Toxicity, Second Edition aims to guide the reader through the correct procedures needed to harness in silico models, a field which now touches a wide variety of research specialties.

In Silico Systems Biology

Author : Maria Victoria Schneider
Publisher : Humana Press
ISBN 13 : 9781627034494
Total Pages : 0 pages
Book Rating : 4.0/5 (344 download)

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Book Synopsis In Silico Systems Biology by : Maria Victoria Schneider

Download or read book In Silico Systems Biology written by Maria Victoria Schneider and published by Humana Press. This book was released on 2013-05-29 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Systems biology can now be considered an established and fundamental field in life sciences. It has moved from the identification of molecular 'parts lists' for living organisms towards synthesising information from different 'omics'-based approaches to generate and test new hypotheses about how biological systems work. In In Silico Systems Biology: Methods and Protocols, expert researchers in the field detail a practical set of chapters based often on actual materials used and develop for face-to-face training with examples and case studies. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, step-by-step workflows, and key tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, In Silico Systems Biology: Methods and Protocols seeks to aid scientists in the further study of network biology and mathematical models of biological systems.

In Silico Drug Discovery and Design

Author : Claudio N. Cavasotto
Publisher : CRC Press
ISBN 13 : 9781138747586
Total Pages : pages
Book Rating : 4.7/5 (475 download)

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Book Synopsis In Silico Drug Discovery and Design by : Claudio N. Cavasotto

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 2017-07 with total page 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 limitations of each methodology, and present applications to real world problems in the drug discovery arena. Special emphasis has been given to the emerging and most pressing methodological challenges in in silico drug discovery and design. The book assumes a basic knowledge of physical principles and molecular modeling. Particular attention has been paid to outline the underlying physico-chemical foundation of the methods described, thus providing the necessary background to avoid a -black-box- approach. In each self-contained chapter, this is presented together with the latest developments and applications, and the challenges that lie ahead. Assembling a unique team of experts to weigh in on the most important issues influencing modern computational drug discovery and design, this book constitutes both a desktop reference to academic and industrial researchers in the field, and a textbook for students in the area of molecular modeling and drug discovery. Comprised of 18 chapters and divided into three parts, this book: Provides a comprehensive, unified, and in-depth overview of the current methodological strategies in computer-aided drug discovery and design Outlines the underlying physico-chemical foundation of the methods described Presents several applications of computational methods to real world problems in the drug design field Helps to avoid a -black-box- approach to in silico drug discovery Constitutes an actual textbook for students in the area of molecular modeling and drug discovery Gives the reader the adequate background to face the current challenges of the field In Silico Drug Discovery and Design: Theory, Methods, Challenges, and Applications describes the theoretical framework, methods, practical applications and case examples relevant to computer-aided drug lead discovery and design. This text will surely aid in understanding the underlying physical foundation of computational tools and their range of application, thus facilitating the interpretation of simulation results.

In Silico Tools for Gene Discovery

Author : Bing Yu
Publisher : Humana Press
ISBN 13 : 9781617791758
Total Pages : 0 pages
Book Rating : 4.7/5 (917 download)

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Book Synopsis In Silico Tools for Gene Discovery by : Bing Yu

Download or read book In Silico Tools for Gene Discovery written by Bing Yu and published by Humana Press. This book was released on 2011-07-25 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: As functional genomics has become one of the major focuses in molecular biology, the need for more sophisticated tools to assist in the identification of the functionality of undefined genes and the correlation of DNA variants with a particular phenotype has increased greatly. In Silico Tools for Gene Discovery collects many common and useful in silico tools available today. The volume begins by investigating locus mapping information on linkage analysis, association mapping, integrative analysis, and exome analysis as well as tools for DNA marker selection, in silico PCR, and statistical analysis. It continues with a section on gene discovery from a defined locus, including gene prioritization, knowledge tracking, and data mining, and concludes with several useful in silico tools presented for the functional characterization of genes, which include DNA sequencing analysis, variant characterization, as well as RNA and protein analysis. Written in the highly successful Methods in Molecular BiologyTM series format, chapters include introductions to their respective topics, step-by-step, readily reproducible protocols, and vital notes on troubleshooting and avoiding known pitfalls. Resourceful and easy to follow, In Silico Tools for Gene Discovery seeks to facilitate scientists with further key research on locus mapping, to accelerate gene identification, and to help ascertain the functionality of DNA variation.

Drug Absorption Studies

Author : Carsten Ehrhardt
Publisher : Springer Science & Business Media
ISBN 13 : 0387749012
Total Pages : 711 pages
Book Rating : 4.3/5 (877 download)

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Book Synopsis Drug Absorption Studies by : Carsten Ehrhardt

Download or read book Drug Absorption Studies written by Carsten Ehrhardt and published by Springer Science & Business Media. This book was released on 2007-12-22 with total page 711 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a well thought-out, highly practical text covering contemporary ‘in vitro’ techniques for drug absorption studies. Starting at the molecular level of investigation, it continues with cell monolayer models (both primary and cell lines) and culminates with in situ techniques as a final testing format. In addition, chapters on high-throughput assays, in vitro-in vivo correlation, bioinformatics and regulatory issues are covered, giving a comprehensive overview of available models and techniques. Moreover, an appendix consisting of a number of practical protocols is available online, updated as needed, and should prove very helpful to apply the techniques directly to the benchside.

Phytochemistry: An in-silico and in-vitro Update

Author : Shashank Kumar
Publisher : Springer
ISBN 13 : 9811369208
Total Pages : 575 pages
Book Rating : 4.8/5 (113 download)

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Book Synopsis Phytochemistry: An in-silico and in-vitro Update by : Shashank Kumar

Download or read book Phytochemistry: An in-silico and in-vitro Update written by Shashank Kumar and published by Springer. This book was released on 2019-06-25 with total page 575 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phytochemistry is the branch of science that deals with the study of plant-derived chemicals or compounds, which are also known as phytochemicals or plant-derived secondary metabolites. Plants are known to produce phytochemicals that are essential for their growth and reproduction, as they protect them from insects, pathogens, and herbivores. Some of the major groups of plant-derived secondary metabolites are phenolics, flavonoids, terpenoids, alkaloids, tannin etc. Plant-derived phytochemicals are pharmacologically active and have the potential to cure various human diseases and disorders. Natural plant products have been known for their medicinal properties for untold years, and form the basis of several medicinal systems such as Chinese, Unani, and Ayurvedic Medicine. This book offers an essential introduction to phytochemicals and their synthetic analogues. It discusses various in silico approaches used to identify pharmacologically active phytochemicals and their biological activities, as well as in vitro and in vivo models/assays that have been utilized for the pharmacological profiling of plant-derived products to combat cancer, diabetes, cardiovascular diseases and neurological disorders. The intended audience includes upper-level undergraduate and graduate students; researchers and scientists from the pharmaceutical/food chemistry/nutrition sciences/biochemistry, and clinical biochemistry fields; and medical students. Sharing the latest findings, the book will familiarize these readers with the concepts, chemistry, and tremendous potential of phytochemistry.

Ultimate Computing

Author : S.R. Hameroff
Publisher : Elsevier
ISBN 13 : 0444600094
Total Pages : 380 pages
Book Rating : 4.4/5 (446 download)

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Book Synopsis Ultimate Computing by : S.R. Hameroff

Download or read book Ultimate Computing written by S.R. Hameroff and published by Elsevier. This book was released on 2014-04-11 with total page 380 pages. Available in PDF, EPUB and Kindle. Book excerpt: The possibility of direct interfacing between biological and technological information devices could result in a merger of mind and machine - Ultimate Computing. This book, a thorough consideration of this idea, involves a number of disciplines, including biochemistry, cognitive science, computer science, engineering, mathematics, microbiology, molecular biology, pharmacology, philosophy, physics, physiology, and psychology.

In-Silico Lead Discovery

Author : Maria A. Miteva
Publisher : Bentham Science Publishers
ISBN 13 : 1608051420
Total Pages : 201 pages
Book Rating : 4.6/5 (8 download)

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Book Synopsis In-Silico Lead Discovery by : Maria A. Miteva

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

In Silico Approach for Sustainable Agriculture

Author : Devendra K. Choudhary
Publisher : Springer
ISBN 13 : 9811303479
Total Pages : 310 pages
Book Rating : 4.8/5 (113 download)

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Book Synopsis In Silico Approach for Sustainable Agriculture by : Devendra K. Choudhary

Download or read book In Silico Approach for Sustainable Agriculture written by Devendra K. Choudhary and published by Springer. This book was released on 2018-07-23 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explores the role of in silico deployment in connection with modulation techniques for improving sustainability and competitiveness in the agri-food sector; pharmacokinetics and molecular docking studies of plant-derived natural compounds; and their potential anti-neurodegenerative activity. It also investigates biochemical pathways for bacterial metabolite synthesis, fungal diversity and plant-fungi interaction in plant diseases, methods for predicting disease-resistant candidate genes in plants, and genes-to-metabolites and metabolites-to-genes approaches for predicting biosynthetic pathways in microbes for natural product discovery. The respective chapters elaborate on the use of in situ methods to study biochemical pathways for bacterial metabolite synthesis; tools for plant metabolites in defence; plant secondary metabolites in defence; plant growth metabolites; characterisation of plant metabolites; and identification of plant derived metabolites in the context of plant defence. The book offers an unprecedented resource, highlighting state-of-the-art research work that will greatly benefit researchers and students alike, not only in the field of agriculture but also in many disciplines in the life sciences and plant sciences.

In Silico Technologies in Drug Target Identification and Validation

Author : Darryl Leon
Publisher : CRC Press
ISBN 13 : 1420015737
Total Pages : 510 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis In Silico Technologies in Drug Target Identification and Validation by : Darryl Leon

Download or read book In Silico Technologies in Drug Target Identification and Validation written by Darryl Leon and published by CRC Press. This book was released on 2006-06-13 with total page 510 pages. Available in PDF, EPUB and Kindle. Book excerpt: The pharmaceutical industry relies on numerous well-designed experiments involving high-throughput techniques and in silico approaches to analyze potential drug targets. These in silico methods are often predictive, yielding faster and less expensive analyses than traditional in vivo or in vitro procedures. In Silico Technologies in Drug Target Ide

Computational Quantum Chemistry

Author : Joseph J W McDouall
Publisher : Royal Society of Chemistry
ISBN 13 : 1782625860
Total Pages : 252 pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis Computational Quantum Chemistry by : Joseph J W McDouall

Download or read book Computational Quantum Chemistry written by Joseph J W McDouall and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry education. This professional reference book provides a comprehensive introduction to the field. Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is divided into five chapters, each providing a major aspect of the field. Electronic structure methods, the computation of molecular properties, methods for analysing the output from computations and the importance of relativistic effects on molecular properties are also discussed. Links to the websites of widely used software packages are provided so that the reader can gain first hand experience of using the techniques described in the book.

Chemometrics and Cheminformatics in Aquatic Toxicology

Author : Kunal Roy
Publisher : John Wiley & Sons
ISBN 13 : 1119681596
Total Pages : 596 pages
Book Rating : 4.1/5 (196 download)

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Book Synopsis Chemometrics and Cheminformatics in Aquatic Toxicology by : Kunal Roy

Download or read book Chemometrics and Cheminformatics in Aquatic Toxicology written by Kunal Roy and published by John Wiley & Sons. This book was released on 2022-01-06 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: CHEMOMETRICS AND CHEMINFORMATICS IN AQUATIC TOXICOLOGY Explore chemometric and cheminformatic techniques and tools in aquatic toxicology Chemometrics and Cheminformatics in Aquatic Toxicology delivers an exploration of the existing and emerging problems of contamination of the aquatic environment through various metal and organic pollutants, including industrial chemicals, pharmaceuticals, cosmetics, biocides, nanomaterials, pesticides, surfactants, dyes, and more. The book discusses different chemometric and cheminformatic tools for non-experts and their application to the analysis and modeling of toxicity data of chemicals to various aquatic organisms. You’ll learn about a variety of aquatic toxicity databases and chemometric software tools and webservers as well as practical examples of model development, including illustrations. You’ll also find case studies and literature reports to round out your understanding of the subject. Finally, you’ll learn about tools and protocols including machine learning, data mining, and QSAR and ligand-based chemical design methods. Readers will also benefit from the inclusion of: A thorough introduction to chemometric and cheminformatic tools and techniques, including machine learning and data mining An exploration of aquatic toxicity databases, chemometric software tools, and webservers Practical examples and case studies to highlight and illustrate the concepts contained within the book A concise treatment of chemometric and cheminformatic tools and their application to the analysis and modeling of toxicity data Perfect for researchers and students in chemistry and the environmental and pharmaceutical sciences, Chemometrics and Cheminformatics in Aquatic Toxicology will also earn a place in the libraries of professionals in the chemical industry and regulators whose work involves chemometrics.