In Silico Drug Design Books

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In Silico Drug Design


In Silico Drug Design
  • Author : Kunal Roy
  • Publisher : Academic Press
  • Release : 2019-02-12
  • ISBN : 9780128163771
  • Language : En, Es, Fr & De
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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 Drug Discovery and Design


In Silico Drug Discovery and Design
  • Author : Claudio N. Cavasotto
  • Publisher : CRC Press
  • Release : 2015-08-06
  • ISBN : 9781482217858
  • Language : En, Es, Fr & De
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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

In Silico Medicinal Chemistry


In Silico Medicinal Chemistry
  • Author : Nathan Brown
  • Publisher : Royal Society of Chemistry
  • Release : 2015-10-30
  • ISBN : 9781782622604
  • Language : En, Es, Fr & De
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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 Lead Discovery


In Silico Lead Discovery
  • Author : Maria A. Miteva
  • Publisher : Bentham Science Publishers
  • Release : 2011
  • ISBN : 9781608051427
  • Language : En, Es, Fr & De
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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 Medicinal Chemistry


In Silico Medicinal Chemistry
  • Author : Nathan Brown
  • Publisher : Royal Society of Chemistry
  • Release :
  • ISBN : 9781782621638
  • Language : En, Es, Fr & De
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