In Silico Methods for Predicting Drug Toxicity PDF Download

Author: Emilio Benfenati
Publisher:
ISBN: 9781071619605
Category : Computer simulation
Languages : en
Pages : 680

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Book Description
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.

Author: Kunal Roy
Publisher: Academic Press
ISBN: 0128163771
Category : Business & Economics
Languages : en
Pages : 886

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Book Description
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

Author: Agu Laisk
Publisher: Springer Science & Business Media
ISBN: 1402092377
Category : Science
Languages : en
Pages : 514

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Book Description
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.

Author: Maria Victoria Schneider
Publisher: Humana
ISBN: 9781493962952
Category : Science
Languages : en
Pages : 0

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Book Description
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.

Author: Jim Munroe
Publisher:
ISBN: 9781974519231
Category :
Languages : en
Pages : 386

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Book Description
In Vancouver in 2036, people are tired of the rain. They're willing to give up a lot for guaranteed sunshine, a life with no wasted hours. A life free of crime and disease. A life that ends when you want it to, not when some faceless entity decides it's your time. Those who don't buy in - the poor, the old, the paranoid - have to watch as their loved ones, their friends, and their jobs leave the city. They have to watch as the latest prestige technology, Self, changes everything - not just the world but humanity itself. On the bright side, the rents have dropped. And in several unexpected ways, resistance is growing. This fascinating work of fiction tells what can happen when the cyberworld becomes more important than the real world.Munroe is a Canadian science fiction author, who publishes his works independently under the imprint No Media Kings. He was managing editor at the magazine Adbusters in the 1990s, before publishing his debut novel Flyboy Action Figure Comes With Gasmask in 1999. The following he release Angry Young Spaceman through his No Media Kings imrpint and, in the U.S., Four Walls Eight Windows. A couple of years later he published Everyone in Silico, which was promoted partly by Munroe's attempt to invoice corporations mentioned in the novel for product placement. Munroe's most recent books are graphic novels set in post-Rapture Chicago and Detroit.Munroe was the founder of Perpetual Motion Roadshow, a North American indie touring circuit that sent 100 writers, performers and musicians on the road between 2003-2007. A former video games columnist for Eye Weekly, he is a founding board member of the Hand Eye Society and has produced projects such as the Torontron.

Author: Mark T. D. Cronin
Publisher: Royal Society of Chemistry
ISBN: 1849730040
Category : Medical
Languages : en
Pages : 689

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Book Description
This book defines the use of computational approaches to predict the environmental toxicity and human health effects of organic chemicals.

Author: Natalia L. Komarova
Publisher: Springer Science & Business Media
ISBN: 1461483018
Category : Mathematics
Languages : en
Pages : 235

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Book Description
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.

Author: Joseph J W McDouall
Publisher: Royal Society of Chemistry
ISBN: 1782625860
Category : Science
Languages : en
Pages : 284

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Book Description
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. Dr McDouall has more than 25 years experience in theoretical chemistry; as a reader at the University of Manchester his research interests include the application of quantum chemical methods to the elucidation of chemical problems and the development and implementation of electronic structure methods that permit the accurate prediction of chemical structures and molecular properties.

Author: Carsten Ehrhardt
Publisher: Springer Science & Business Media
ISBN: 0387749012
Category : Medical
Languages : en
Pages : 711

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Book Description
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.

Author: Kunal Roy
Publisher:
ISBN: 9781071613665
Category : Coronavirus infections
Languages : en
Pages : 788

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Book Description
This essential volume explores a variety of tools and protocols of structure-based (homology modeling, molecular docking, molecular dynamics, protein-protein interaction network) and ligand-based (pharmacophore mapping, quantitative structure-activity relationships or QSARs) drug design for ranking and prioritization of candidate molecules in search of effective treatment strategy against coronaviruses. Beginning with an introductory section that discusses coronavirus interactions with humanity and COVID-19 in particular, the book then continues with sections on tools and methodologies, literature reports and case studies, as well as online tools and databases that can be used for computational anti-coronavirus drug research. Written for the Methods in Pharmacology and Toxicology series, chapters include the kind of practical detail and implementation advice that ensures high quality results in the lab. Comprehensive and timely, In Silico Modeling of Drugs Against Coronaviruses: Computational Tools and Protocols is an ideal reference for researchers working on the development of novel anti-coronavirus drugs for SARS-CoV-2 and for coronaviruses that will likely appear in the future.