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Multi-Scale Approaches In Drug Discovery: From Empirical Knowledge To In Silico Experiments And Back

 

 

 

Multi-Scale Approaches in Drug Discovery: From Empirical Knowledge to In silico Experiments and Back

by Alejandro Speck-Planche

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Drug discovery is an expensive, time-consuming process and the modern drug discovery community is constantly challenged not only with discovering novel bioactive agents to combat resistance from known diseases and fight against new ones, but to do so in a way that is economically effective. Advances in both experimental and theoretical/computational methods envisage that the greatest challenges in drug discovery can be most successfully addressed by using a multi-scale approach, drawing on the specialties of a whole host of different disciplines. Multi-Scale Approaches to Drug Discovery furnishes chemists with the detail they need to identify drug leads with the highest potential before isolating and synthesizing them to produce effective drugs with greater swiftness than classical methods may allow. This significantly speeds up the search for more efficient therapeutic agents.

After an introduction to multi-scale approaches outlining the need for and benefits of their use, the book goes on to explore a range of useful techniques and research areas, and their potential applications to this process. Profiling drug binding by thermodynamics, machine learning for predicting enzyme sub-classes, and multitasking models for computer-aided design and virtual compound screening are discussed, before the book goes on to review Alkaloid Menispermaceae leads, natural chemotherapeutic agents and methods for speeding up the design and virtual screening of therapeutic peptides. Flavonoids as multi-target compounds are then explored, before the book concludes with a review of Quasi-SMILES as a novel tool.

Collecting together reviews and original research contributions written by leading experts in the field, Multi-Scale Approaches to Drug Discovery highlights cutting-edge approaches and practical examples of their implementation for those involved in the drug discovery process at many different levels. Using the combined knowledge of medicinal, computational, pharmaceutical and bio- chemists, it aims to support growth in the multi-scale approach to promote greater success in the development of new drugs.

  • Offers practical guidance on ways to implement multiscale approaches for increased efficiency in drug discovery
  • Draws on the experience of a highly skilled team of authors under the editorial guidance of one of the field's leading experts
  • Includes cutting-edge techniques at the forefront of medicinal chemistry and drug discovery optimization

 

 

Details:
rank:
price: $150.13
bound: 238 pages
publisher: Elsevier; 1 edition (March 21, 2017)
lang: English
asin:
isbn: 0081011296, 978-0081011294,
weight: 12.6 ounces (
filesize:

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

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Multi-Scale Approaches in Drug Discovery: From Empirical Knowledge to In silico Experiments and Back

Structure-based Drug Metabolism Predictions for Drug . empirical-, or knowledge-based . so the in silico drug metabolism approaches described in this review .The Knowledge-Gradient Algorithm for Sequencing . The Knowledge-Gradient Algorithm for Sequencing Experiments in . for Sequencing Experiments in Drug Discovery.In silico structure-based drug design . Reviews on the effectiveness of empirical scores and knowledge-based . A multi-scale approach based on .Multi-scale approaches in drug discovery : from empirical knowledge to in silico experiments and back. . Using the combined knowledge of medicinal, .Follow project: Advanced Chemoinformatic Models in Drug Discovery by Alejandro Speck Planche on ResearchGate, . Advanced Chemoinformatic Models in Drug Discovery.View 1084 In Silico posts, . Get the professional knowledge you need on LinkedIn. LinkedIn. Sign in; Join now Main content starts below. In Silico.Multi-Scale Approaches in Drug Discovery: From Empirical Knowledge to In silico Experiments and Back. . Multi-Scale Approaches to Drug Discovery furnishes .. Models and Computers: A (necessarily incomplete) Personal Take . Drugs and rational drug discovery . past empirical data including knowledge of poses of .

 

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SearchWorks Catalog . from empirical knowledge to in silico experiments and . Multi-Scale Approaches to Drug Discovery furnishes chemists with the detail .Unicorn Software for Drug Discovery. . from the mechanism of action of the drug and from knowledge of basic . about retrospective VS experiments: .. with an in silico approaches has the potential . within early drug discovery was . The Development, Characterization, and Application of an .The re-emergence of natural products for drug . for using natural products for drug discovery in . with drug discovery approaches that are .Good Practices in Model-Informed Drug Discovery and Development: Practice, Application, and Documentation. . Drug Discovery and Development . in silico approaches .Drug design, often referred to as rational drug design or simply rational design, is the inventive process of finding new medications based on the knowledge of a .into drug discovery and . Quantitative and systems pharmacology concepts and tools are the . quantitative and systems pharmacology in drug .rational drug discovery range from targeting and . complementary accumulated knowledge; (ii) . or follow alternative approaches guided by empirical or heuristic .In silico identification of potential drug targets is a crucial task for drug discovery. Traditional approaches . Knowledge Discovery . silico drug discovery . 07f867cfac

Alejandro Speck-Planche

 

2656-2665 Current Pharmaceutical Design of Antituberculosis Drugs: ..Studies Brain behavior ... Alejandro Speck Planche está en FacebookStandort Porto und Umgebung, Portugal 查看Alejandro Speck-Planche的领英职业档案。领英是全球领先的商务人脉网络,帮助像Alejandro Speck-Planche这样的职场人士找到企业 ... Universidad Tecnologica del Valle de Toluca, 52050, Santa Maria Atarasquillo, Lerma, Mexico; or Department of Organic Chemistry II, University of the Basque Country ... Alejandro Speck-Planche - list of publications on publicationslist.org - a.speck-planche Alejandro Speck PlancheさんはFacebookを利用しています。Facebookに登録して、Alejandro Speck Plancheさんや他の知り合いと交流しましょう。 Browse by Name

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