Concepts and Experimental Protocols of Modelling and Informatics in Drug Design

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  • Publisher : Academic Press
  • Release : 05 November 2020
  • ISBN : 9780128205471
  • Page : 396 pages
  • Rating : 4.5/5 from 103 voters

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design Book PDF summary

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design discusses each experimental protocol utilized in the field of bioinformatics, focusing especially on computer modeling for drug development. It helps the user in understanding the field of computer-aided molecular modeling (CAMM) by presenting solved exercises and examples. The book discusses topics such as fundamentals of molecular modeling, QSAR model generation, protein databases and how to use them to select and analyze protein structure, and pharmacophore modeling for drug targets. Additionally, it discusses data retrieval system, molecular surfaces, and freeware and online servers. The book is a valuable source for graduate students and researchers on bioinformatics, molecular modeling, biotechnology and several members of biomedical field who need to understand more about computer-aided molecular modeling. Presents exercises with solutions to aid readers in validating their own protocol Brings a thorough interpretation of results of each exercise to help readers compare them to their own study Explains each parameter utilized in the algorithms to help readers understand and manipulate various features of molecules and target protein to design their study

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Concepts and Experimental Protocols of Modelling and Informatics in Drug Design

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design
  • Author : Om Silakari,Pankaj Kumar Singh
  • Publisher : Academic Press
  • Release Date : 2020-11-05
  • ISBN : 9780128205471
DOWNLOAD BOOKConcepts and Experimental Protocols of Modelling and Informatics in Drug Design

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design discusses each experimental protocol utilized in the field of bioinformatics, focusing especially on computer modeling for drug development. It helps the user in understanding the field of computer-aided molecular modeling (CAMM) by presenting solved exercises and examples. The book discusses topics such as fundamentals of molecular modeling, QSAR model generation, protein databases and how to use them to select and analyze protein structure, and pharmacophore modeling for drug targets.

Molecular Docking for Computer-Aided Drug Design

Molecular Docking for Computer-Aided Drug Design
  • Author : S. Mohane Coumar
  • Publisher : Academic Press
  • Release Date : 2021-02-17
  • ISBN : 9780128223130
DOWNLOAD BOOKMolecular Docking for Computer-Aided Drug Design

Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications offers in-depth coverage on the use of molecular docking for drug design. The book is divided into three main sections that cover basic techniques, tools, web servers and applications. It is an essential reference for students and researchers involved in drug design and discovery. Covers the latest information and state-of-the-art trends in structure-based drug design methodologies Includes case studies that complement learning Consolidates fundamental concepts and current practice of

Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences

Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences
  • Author : Navneet Sharma,Himanshu Ojha,Pawan Raghav,Ramesh K. Goyal
  • Publisher : Academic Press
  • Release Date : 2021-05-21
  • ISBN : 9780128217474
DOWNLOAD BOOKChemoinformatics and Bioinformatics in the Pharmaceutical Sciences

Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences brings together two very important fields in pharmaceutical sciences that have been mostly seen as diverging from each other: chemoinformatics and bioinformatics. As developing drugs is an expensive and lengthy process, technology can improve the cost, efficiency and speed at which new drugs can be discovered and tested. This book presents some of the growing advancements of technology in the field of drug development and how the computational approaches explained here can reduce

Chemoinformatics Approaches to Virtual Screening

Chemoinformatics Approaches to Virtual Screening
  • Author : Alexandre Varnek,Alex Tropsha
  • Publisher : Royal Society of Chemistry
  • Release Date : 2008
  • ISBN : 9780854041442
DOWNLOAD BOOKChemoinformatics Approaches to Virtual Screening

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

Quantitative Molecular Pharmacology and Informatics in Drug Discovery

Quantitative Molecular Pharmacology and Informatics in Drug Discovery
  • Author : Michael Lutz,Terry Kenakin
  • Publisher : John Wiley & Sons
  • Release Date : 2000-01-10
  • ISBN : 0471988618
DOWNLOAD BOOKQuantitative Molecular Pharmacology and Informatics in Drug Discovery

Quantitative Molecular Pharmacology and Informatics in Drug Discovery Michael Lutz, Section Head, Cheminformatics Group and Terry Kenakin, Principal Research Scientist, Glaxo Wellcome Research and Development, Research Triangle Park, NC, USA Quantitative Molecular Pharmacology and Informatics in Drug Discovery combines pharmacology, genetics and statistics to provide a complete guide to the modern drug discovery process. The book discusses the pharmacology of drug testing and provides a detailed description of the statistical methods used to analyze the resulting data. Application of genetic

Molecular Modeling in Drug Design

Molecular Modeling in Drug Design
  • Author : Rebecca Wade,Outi Salo-Ahen
  • Publisher : MDPI
  • Release Date : 2019-03-26
  • ISBN : 9783038976141
DOWNLOAD BOOKMolecular Modeling in Drug Design

Since the first attempts at structure-based drug design about four decades ago, molecular modelling techniques for drug design have developed enormously, along with the increasing computational power and structural and biological information of active compounds and potential target molecules. Nowadays, molecular modeling can be considered to be an integral component of the modern drug discovery and development toolbox. Nevertheless, there are still many methodological challenges to be overcome in the application of molecular modeling approaches to drug discovery. The eight

Current Methods In Medicinal Chemistry And Biological Physics

Current Methods In Medicinal Chemistry And Biological Physics
  • Author : Carlton A. Taft
  • Publisher : Unknown
  • Release Date : 2008-01-01
  • ISBN : 8130802929
DOWNLOAD BOOKCurrent Methods In Medicinal Chemistry And Biological Physics

This book is aimed at, from students to advanced researchers, for anyone that is interested or works with current experimental and theoretical methods in medicinal chemistry and biological physics, with particular interest in chemoinformatics, bioinformatics, molecular modeling, QSAR, spectrometry, molecular biology and combinatorial chemistry for many therapeutic purposes. This book attempts to convey something of the fascination of working in these multidisciplinar areas, which overlap knowledge of chemistry, physics, biochemistry, biology and pharmacology. This second volume, in particular, contains 11 chapters,

Advances in Protein Molecular and Structural Biology Methods

Advances in Protein Molecular and Structural Biology Methods
  • Author : Timir Tripathi,Vikash Kumar Dubey
  • Publisher : Academic Press
  • Release Date : 2022-01-14
  • ISBN : 9780323902656
DOWNLOAD BOOKAdvances in Protein Molecular and Structural Biology Methods

Advances in Protein Molecular and Structural Biology Methods offers a complete overview of the latest tools and methods applicable to the study of proteins at the molecular and structural level. The book begins with sections exploring tools to optimize recombinant protein expression and biophysical techniques such as fluorescence spectroscopy, NMR, mass spectrometry, cryo-electron microscopy, and X-ray crystallography. It then moves towards computational approaches, considering structural bioinformatics, molecular dynamics simulations, and deep machine learning technologies. The book also covers methods applied

Biomarkers in Drug Development

Biomarkers in Drug Development
  • Author : Michael R. Bleavins,Claudio Carini,MallĂ© Jurima-Romet,Ramin Rahbari
  • Publisher : John Wiley & Sons
  • Release Date : 2011-09-20
  • ISBN : 9781118210420
DOWNLOAD BOOKBiomarkers in Drug Development

Discover how biomarkers can boost the success rate of drugdevelopment efforts As pharmaceutical companies struggle to improve the success rateand cost-effectiveness of the drug development process, biomarkershave emerged as a valuable tool. This book synthesizes and reviewsthe latest efforts to identify, develop, and integrate biomarkersas a key strategy in translational medicine and the drugdevelopment process. Filled with case studies, the bookdemonstrates how biomarkers can improve drug development timelines,lower costs, facilitate better compound selection, reducelate-stage attrition, and open the door

Chemoinformatics in Drug Discovery

Chemoinformatics in Drug Discovery
  • Author : Tudor I. Oprea
  • Publisher : John Wiley & Sons
  • Release Date : 2006-03-06
  • ISBN : 9783527604203
DOWNLOAD BOOKChemoinformatics in Drug Discovery

This handbook provides the first-ever inside view of today's integrated approach to rational drug design. Chemoinformatics experts from large pharmaceutical companies, as well as from chemoinformatics service providers and from academia demonstrate what can be achieved today by harnessing the power of computational methods for the drug discovery process. With the user rather than the developer of chemoinformatics software in mind, this book describes the successful application of computational tools to real-life problems and presents solution strategies to commonly encountered

Structural Bioinformatics: Applications in Preclinical Drug Discovery Process

Structural Bioinformatics: Applications in Preclinical Drug Discovery Process
  • Author : C. Gopi Mohan
  • Publisher : Springer
  • Release Date : 2019-01-10
  • ISBN : 9783030052829
DOWNLOAD BOOKStructural Bioinformatics: Applications in Preclinical Drug Discovery Process

This book reviews the advances and challenges of structure-based drug design in the preclinical drug discovery process, addressing various diseases, including malaria, tuberculosis and cancer. Written by internationally recognized researchers, this edited book discusses how the application of the various in-silico techniques, such as molecular docking, virtual screening, pharmacophore modeling, molecular dynamics simulations, and residue interaction networks offers insights into pharmacologically active novel molecular entities. It presents a clear concept of the molecular mechanism of different drug targets and explores

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment
  • Author : Kunal Roy,Supratik Kar,Rudra Narayan Das
  • Publisher : Academic Press
  • Release Date : 2015-03-03
  • ISBN : 9780128016336
DOWNLOAD BOOKUnderstanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment

Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment describes the historical evolution of quantitative structure-activity relationship (QSAR) approaches and their fundamental principles. This book includes clear, introductory coverage of the statistical methods applied in QSAR and new QSAR techniques, such as HQSAR and G-QSAR. Containing real-world examples that illustrate important methodologies, this book identifies QSAR as a valuable tool for many different applications, including drug discovery, predictive toxicology and risk assessment. Written in a straightforward

Computer-Aided Drug Design

Computer-Aided Drug Design
  • Author : Dev Bukhsh Singh
  • Publisher : Springer Nature
  • Release Date : 2020-10-09
  • ISBN : 9789811568152
DOWNLOAD BOOKComputer-Aided Drug Design

This book provides up-to-date information on bioinformatics tools for the discovery and development of new drug molecules. It discusses a range of computational applications, including three-dimensional modeling of protein structures, protein-ligand docking, and molecular dynamics simulation of protein-ligand complexes for identifying desirable drug candidates. It also explores computational approaches for identifying potential drug targets and for pharmacophore modeling. Moreover, it presents structure- and ligand-based drug design tools to optimize known drugs and guide the design of new molecules. The book

Bioinformatics

Bioinformatics
  • Author : Dev Bukhsh Singh,Rajesh Kumar Pathak
  • Publisher : Academic Press
  • Release Date : 2021-10-21
  • ISBN : 9780323900058
DOWNLOAD BOOKBioinformatics

Bioinformatics: Methods and Applications provides a thorough and detailed description of principles, methods, and applications of bioinformatics in different areas of life sciences. It presents a compendium of many important topics of current advanced research and basic principles/approaches easily applicable to diverse research settings. The content encompasses topics such as biological databases, sequence analysis, genome assembly, RNA sequence data analysis, drug design, and structural and functional analysis of proteins. In addition, it discusses computational approaches for vaccine design, systems

Bioinformatics and Drug Discovery

Bioinformatics and Drug Discovery
  • Author : Richard S. Larson
  • Publisher : Unknown
  • Release Date : 2012
  • ISBN : 1617799653
DOWNLOAD BOOKBioinformatics and Drug Discovery

Recent advances in drug discovery have been rapid. The second edition of Bioinformatics and Drug Discovery has been completely updated to include topics that range from new technologies in target identification, genomic analysis, cheminformatics, protein analysis, and network or pathway analysis. Each chapter provides an extended introduction that describes the theory and application of the technology. In the second part of each chapter, detailed procedures related to the use of these technologies and software have been incorporated. Written in the