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Molecular Docking for Computer-Aided Drug Design

Molecular Docking for Computer-Aided Drug Design
  • Author : Mohane S. Coumar
  • Publisher : Academic Press
  • Release : 01 March 2021
GET THIS 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

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Molecular Docking for Computer-Aided Drug Design

Molecular Docking for Computer-Aided Drug Design
  • Author : Mohane S. Coumar
  • Publisher : Academic Press
  • Release : 04 March 2021
GET THIS 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

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Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery

Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery
  • Author : Dastmalchi, Siavoush
  • Publisher : IGI Global
  • Release : 03 May 2016
GET THIS BOOKMethods and Algorithms for Molecular Docking-Based Drug Design and Discovery

The role of technology in the medical field has resulted in significant developments within the pharmaceutical industry. Computational approaches have emerged as a crucial method in further advancing drug design and development. Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery presents emerging research on the application of computer-assisted design methods for drugs, emphasizing the benefits and improvements that molecular docking has caused within the pharmaceutical industry. Focusing on validation methods, search algorithms, and scoring functions, this book is

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Applied Case Studies and Solutions in Molecular Docking-Based Drug Design

Applied Case Studies and Solutions in Molecular Docking-Based Drug Design
  • Author : Dastmalchi, Siavoush
  • Publisher : IGI Global
  • Release : 11 May 2016
GET THIS BOOKApplied Case Studies and Solutions in Molecular Docking-Based Drug Design

As the pharmaceutical industry continues to advance, new techniques in drug design are emerging. In order to deliver optimum care to patients, the development of innovative pharmacological techniques has become a widely studied topic. Applied Case Studies and Solutions in Molecular Docking-Based Drug Design is a pivotal reference source for the latest scholarly research on the progress of pharmaceutical design and computational approaches in the field of molecular docking. Highlighting innovative research perspectives and real-world applications, this book is ideally

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Drug Discovery and Development

Drug Discovery and Development
  • Author : Vishwanath Gaitonde,Partha Karmakar,Ashit Trivedi
  • Publisher : BoD – Books on Demand
  • Release : 11 March 2020
GET THIS BOOKDrug Discovery and Development

The process of drug discovery and development is a complex multistage logistics project spanned over 10-15 years with an average budget exceeding 1 billion USD. Starting with target identification and synthesizing anywhere between 10k to 15k synthetic compounds to potentially obtain the final drug that reaches the market involves a complicated maze with multiple inter- and intra-operative fields. Topics described in this book emphasize the progresses in computational applications, pharmacokinetics advances, and molecular modeling developments. In addition the book also contains

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Computer-Aided Drug Design

Computer-Aided Drug Design
  • Author : Dev Bukhsh Singh
  • Publisher : Springer Nature
  • Release : 09 October 2020
GET THIS 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

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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 : 05 November 2020
GET THIS 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.

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Quick Guideline for Computational Drug Design

Quick Guideline for Computational Drug Design
  • Author : Sheikh Arslan Sehgal, A. Hammad Mirza,Rana Adnan Tahir,Asif Mir
  • Publisher : Bentham Science Publishers
  • Release : 16 February 2018
GET THIS BOOKQuick Guideline for Computational Drug Design

Bioinformatics allows researchers to answer biological questions with advanced computational methods which involves the application of statistics and mathematical modeling. Structural bioinformatics enables the prediction and analysis of 3D structures of macromolecules while Computer Aided Drug Designing (CADD) assists scientists to design effective active molecules against diseases. However, the concepts in structural bioinformatics and CADD can be complex to understand for students and educated laymen. This quick guideline is intended as a basic manual for beginner students and instructors involved

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Molecular Docking

Molecular Docking
  • Author : Dimitrios Vlachakis
  • Publisher : BoD – Books on Demand
  • Release : 11 July 2018
GET THIS BOOKMolecular Docking

Molecular docking has always been and will be on the forefront of developments in the eminent field of drug design and medicinal chemistry. At the early days, drug discovery was based on blackboard drawings and expert intuition. However, as times move on, the amount of available information and overall knowledge base that needs to be analyzed cannot be processed manually. This, coupled by the rapid growth in computational infrastructure and processing power, has allowed for the efficient use of molecular

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Guidebook on Molecular Modeling in Drug Design

Guidebook on Molecular Modeling in Drug Design
  • Author : N. Claude Cohen
  • Publisher : Gulf Professional Publishing
  • Release : 10 May 1996
GET THIS BOOKGuidebook on Molecular Modeling in Drug Design

The molecular modeling perspective in drug design. (N. Calude Cohen). Molecular graphics and modeling: tools of the trade. (Roderick E. Hubbard). Molecular modeling of small molecules. (Tamara Gund). Computer assisted new lead design. (Akiko Itai, Miho Yamada Mizutani, Yoshihiko Nishibata, and Nubuo Tomioka). Experimental techniques and data banks. (John P. Priestle and C. Gregory Paris). Computer-assisted drug discovery. (Peter Gund, Gerald Maggiora, and James P. Snyder). Modeling drug-receptor interactions. (Konrad F. Koehler, Shashidhar N. Rao, and James P. Snyder). Glossary

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Molecular Docking and Molecular Dynamics

Molecular Docking and Molecular Dynamics
  • Author : Amalia Stefaniu
  • Publisher : BoD – Books on Demand
  • Release : 18 December 2019
GET THIS BOOKMolecular Docking and Molecular Dynamics

This book clearly explains the principles of in silico tools of molecular docking and molecular dynamics. It provides examples of algorithms and procedures proposed by different software programs for visualizing and identifying potential interactions in complexes of biochemical interest. The book is structured in six chapters, each of which discusses different molecular simulation methodologies and provides concrete examples of complexes interactions. In each chapter authors give an overview of the treated subject, a description of the methodologies used, and a

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Structure-Based Drug Discovery

Structure-Based Drug Discovery
  • Author : Leslie W. Tari
  • Publisher : Humana Press
  • Release : 08 January 2012
GET THIS BOOKStructure-Based Drug Discovery

The last decade has seen the confluence of several enabling technologies that have allowed protein crystallographic methods to live up to their true potential. Taken together, the numerous recent advances have made it possible to tackle difficult biological targets with a high probability of success: intact bacterial ribosomes have been structurally elucidated, as well as eukaryotic trans-membrane proteins like the potassium channel and GPCRs. It is now possible for medicinal chemists to have access to structural information on their latest

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Computational Drug Design

Computational Drug Design
  • Author : D. C. Young
  • Publisher : John Wiley & Sons
  • Release : 28 January 2009
GET THIS BOOKComputational Drug Design

Helps you choose the right computational tools and techniques to meet your drug design goals Computational Drug Design covers all of the major computational drug design techniques in use today, focusing on the process that pharmaceutical chemists employ to design a new drug molecule. The discussions of which computational tools to use and when and how to use them are all based on typical pharmaceutical industry drug design processes. Following an introduction, the book is divided into three parts: Part

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Computer-Aided Drug Discovery

Computer-Aided Drug Discovery
  • Author : Wei Zhang
  • Publisher : Humana Press
  • Release : 07 June 2016
GET THIS BOOKComputer-Aided Drug Discovery

This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs. With a focus on the methods that are commonly used in the early stage of drug discovery, chapters explore computer simulation, structure prediction, conformational sampling, binding site mapping, docking and scoring, in silico screening, and fragment-based drug design. In addition to the state-of-the-art theoretical concept, this book also

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