Molecular Docking

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Molecular Docking for Computer-Aided Drug Design

Author : Mohane S. Coumar
Publisher : Academic Press
ISBN 13 : 0128223138
Total Pages : 522 pages
Book Rating : 4.1/5 (282 download)

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Book Synopsis Molecular Docking for Computer-Aided Drug Design by : Mohane S. Coumar

Download or read book Molecular Docking for Computer-Aided Drug Design written by Mohane S. Coumar and published by Academic Press. This book was released on 2021-02-17 with total page 522 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 molecular docking into one convenient resource

Basic Applied Bioinformatics

Author : Chandra Sekhar Mukhopadhyay
Publisher : John Wiley & Sons
ISBN 13 : 1119244412
Total Pages : 530 pages
Book Rating : 4.1/5 (192 download)

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Book Synopsis Basic Applied Bioinformatics by : Chandra Sekhar Mukhopadhyay

Download or read book Basic Applied Bioinformatics written by Chandra Sekhar Mukhopadhyay and published by John Wiley & Sons. This book was released on 2017-09-15 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt: An accessible guide that introduces students in all areas of life sciences to bioinformatics Basic Applied Bioinformatics provides a practical guidance in bioinformatics and helps students to optimize parameters for data analysis and then to draw accurate conclusions from the results. In addition to parameter optimization, the text will also familiarize students with relevant terminology. Basic Applied Bioinformatics is written as an accessible guide for graduate students studying bioinformatics, biotechnology, and other related sub-disciplines of the life sciences. This accessible text outlines the basics of bioinformatics, including pertinent information such as downloading molecular sequences (nucleotide and protein) from databases; BLAST analyses; primer designing and its quality checking, multiple sequence alignment (global and local using freely available software); phylogenetic tree construction (using UPGMA, NJ, MP, ME, FM algorithm and MEGA7 suite), prediction of protein structures and genome annotation, RNASeq data analyses and identification of differentially expressed genes and similar advanced bioinformatics analyses. The authors Chandra Sekhar Mukhopadhyay, Ratan Kumar Choudhary, and Mir Asif Iquebal are noted experts in the field and have come together to provide an updated information on bioinformatics. Salient features of this book includes: Accessible and updated information on bioinformatics tools A practical step-by-step approach to molecular-data analyses Information pertinent to study a variety of disciplines including biotechnology, zoology, bioinformatics and other related fields Worked examples, glossary terms, problems and solutions Basic Applied Bioinformatics gives students studying bioinformatics, agricultural biotechnology, animal biotechnology, medical biotechnology, microbial biotechnology, and zoology an updated introduction to the growing field of bioinformatics.

Docking Screens for Drug Discovery

Author : Walter Filgueira de Azevedo Jr.
Publisher : Humana
ISBN 13 : 9781493997541
Total Pages : 286 pages
Book Rating : 4.9/5 (975 download)

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Book Synopsis Docking Screens for Drug Discovery by : Walter Filgueira de Azevedo Jr.

Download or read book Docking Screens for Drug Discovery written by Walter Filgueira de Azevedo Jr. and published by Humana. This book was released on 2020-08-27 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on recent developments in docking simulations for target proteins with chapters on specific techniques or applications for docking simulations, including the major docking programs. Additionally, the volume explores the scoring functions developed for the analysis of docking results and to predict ligand-binding affinity as well as the importance of docking simulations for the initial stages of drug discovery. Written for the highly successful Methods in Molecular Biology series, this collection presents the kind of detail and key implementation advice to ensure successful results. Authoritative and practical, Docking Screens for Drug Discovery aims to serve those interested in molecular docking simulation and also in the application of these methodologies for drug discovery.

Molecular Modeling of Proteins

Author : Andreas Kukol
Publisher : Humana Press
ISBN 13 : 9781493954919
Total Pages : 474 pages
Book Rating : 4.9/5 (549 download)

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Book Synopsis Molecular Modeling of Proteins by : Andreas Kukol

Download or read book Molecular Modeling of Proteins written by Andreas Kukol and published by Humana Press. This book was released on 2017-04-30 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Modeling of Proteins, Second Edition provides a theoretical background of various methods available and enables non-specialists to apply methods to their problems by including updated chapters and new material not covered in the first edition. This detailed volume opens by featuring classical and advanced simulation methods as well as methods to set-up complex systems such as lipid membranes and membrane proteins and continues with chapters devoted to the simulation and analysis of conformational changes of proteins, computational methods for protein structure prediction, usage of experimental data in combination with computational techniques, as well as protein-ligand interactions, which are relevant in the drug design process. Written for the highly successful Methods in Molecular Biology series, chapters include thorough introductions, step-by-step instructions and notes on troubleshooting and avoiding common pitfalls. Update-to-date and authoritative, Molecular Modeling of Proteins, Second Edition aims to aid researchers in the physical, chemical and biosciences interested in utilizing this powerful technology.

Molecular Docking and Molecular Dynamics

Author : Amalia Stefaniu
Publisher : BoD – Books on Demand
ISBN 13 : 1789840910
Total Pages : 102 pages
Book Rating : 4.7/5 (898 download)

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Book Synopsis Molecular Docking and Molecular Dynamics by : Amalia Stefaniu

Download or read book Molecular Docking and Molecular Dynamics written by Amalia Stefaniu and published by BoD – Books on Demand. This book was released on 2019-12-18 with total page 102 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 discussion of the results. The authors describe computational ways to achieve a rational design of bioactive compounds with various therapeutic applications, including antitumoral agents, antitubercular drugs, nonsteroidal anti-inflammatory drugs, and radiopharmaceuticals.

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

Author : Dastmalchi, Siavoush
Publisher : IGI Global
ISBN 13 : 1522501169
Total Pages : 456 pages
Book Rating : 4.5/5 (225 download)

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Book Synopsis Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery by : Dastmalchi, Siavoush

Download or read book Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery written by Dastmalchi, Siavoush and published by IGI Global. This book was released on 2016-05-03 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 a pivotal resource for professionals, researchers, students, and practitioners in the field of theoretical and computational chemistry.

Molecular Docking

Author : Dimitrios Vlachakis
Publisher : BoD – Books on Demand
ISBN 13 : 1789233542
Total Pages : 190 pages
Book Rating : 4.7/5 (892 download)

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Book Synopsis Molecular Docking by : Dimitrios Vlachakis

Download or read book Molecular Docking written by Dimitrios Vlachakis and published by BoD – Books on Demand. This book was released on 2018-07-11 with total page 190 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 docking tools and algorithms to be considered in the greater field of drug discovery. In the postgenomic era, molecular docking has become the key player for the screening of hundreds of thousands of compounds against a repertoire of pharmacological targets.

Guidebook on Molecular Modeling in Drug Design

Author : N. Claude Cohen
Publisher : Gulf Professional Publishing
ISBN 13 : 9780121782450
Total Pages : 386 pages
Book Rating : 4.7/5 (824 download)

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Book Synopsis Guidebook on Molecular Modeling in Drug Design by : N. Claude Cohen

Download or read book Guidebook on Molecular Modeling in Drug Design written by N. Claude Cohen and published by Gulf Professional Publishing. This book was released on 1996-04-26 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 of terminology. (J. P. Tollenaere).

Molecular Docking: A Formula Handbook

Author : N.B. Singh
Publisher : N.B. Singh
ISBN 13 :
Total Pages : 226 pages
Book Rating : 4./5 ( download)

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Book Synopsis Molecular Docking: A Formula Handbook by : N.B. Singh

Download or read book Molecular Docking: A Formula Handbook written by N.B. Singh and published by N.B. Singh. This book was released on with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Molecular Docking: A Formula Handbook" is a comprehensive and accessible guide that distills the intricate field of molecular docking into essential formulas. Tailored for students, researchers, and professionals in biochemistry and pharmaceutical sciences, this handbook serves as a quick reference for key equations and principles related to molecular docking. Covering the fundamental aspects of ligand-receptor interactions, scoring functions, and computational techniques, the book facilitates a deeper understanding of molecular docking methods. With clarity and precision, it provides a valuable resource for those seeking to navigate the complexities of molecular interactions in drug discovery and structural biology.

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

Author : Dastmalchi, Siavoush
Publisher : IGI Global
ISBN 13 : 1522503633
Total Pages : 367 pages
Book Rating : 4.5/5 (225 download)

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Book Synopsis Applied Case Studies and Solutions in Molecular Docking-Based Drug Design by : Dastmalchi, Siavoush

Download or read book Applied Case Studies and Solutions in Molecular Docking-Based Drug Design written by Dastmalchi, Siavoush and published by IGI Global. This book was released on 2016-05-11 with total page 367 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 designed for professionals, researchers, practitioners, and medical chemists actively involved in computational chemistry and pharmaceutical sciences.

Advances in Molecular Docking and Structure-Based Modelling

Author : Alexandre G. De Brevern
Publisher : Frontiers Media SA
ISBN 13 : 2889745090
Total Pages : 201 pages
Book Rating : 4.8/5 (897 download)

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Book Synopsis Advances in Molecular Docking and Structure-Based Modelling by : Alexandre G. De Brevern

Download or read book Advances in Molecular Docking and Structure-Based Modelling written by Alexandre G. De Brevern and published by Frontiers Media SA. This book was released on 2022-02-24 with total page 201 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design

Author : Om Silakari
Publisher : Academic Press
ISBN 13 : 0128205474
Total Pages : 398 pages
Book Rating : 4.1/5 (282 download)

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Book Synopsis Concepts and Experimental Protocols of Modelling and Informatics in Drug Design by : Om Silakari

Download or read book Concepts and Experimental Protocols of Modelling and Informatics in Drug Design written by Om Silakari and published by Academic Press. This book was released on 2020-11-05 with total page 398 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Molecular Modeling

Author : Hans-Dieter Höltje
Publisher : John Wiley & Sons
ISBN 13 : 3527614761
Total Pages : 206 pages
Book Rating : 4.5/5 (276 download)

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Book Synopsis Molecular Modeling by : Hans-Dieter Höltje

Download or read book Molecular Modeling written by Hans-Dieter Höltje and published by John Wiley & Sons. This book was released on 2008-07-11 with total page 206 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by experienced experts in molecular modeling, this books describes the basics to the extent that is necessary if one wants to be able to reliably judge the results from molecular modeling calculations. Its main objective is the description of the various pitfalls to be avoided. Without unnecessary overhead it leads the reader from simple calculations on small molecules to the modeling of proteins and other relevant biomolecules. A textbook for beginners as well as an invaluable reference for all those dealing with molecular modeling in their daily work!

Computational Drug Discovery and Design

Author : Mohini Gore
Publisher : Springer Nature
ISBN 13 : 1071634410
Total Pages : 357 pages
Book Rating : 4.0/5 (716 download)

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Book Synopsis Computational Drug Discovery and Design by : Mohini Gore

Download or read book Computational Drug Discovery and Design written by Mohini Gore and published by Springer Nature. This book was released on 2023-10-09 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: This second edition provides new and updated methods and techniques for identification of drug target, binding sites prediction, high- throughput virtual screening, lead discovery and optimization, conformational sampling, prediction of pharmacokinetic properties using computer-based methodologies. Chapters also focus on the application of the latest artificial intelligence technologies for computer aided drug discovery. Written in the format of the highly successful Methods in Molecular Biology series, each chapter includes an introduction to the topic, lists necessary methods, includes tips on troubleshooting and known pitfalls, and step-by-step, readily reproducible protocols. Authoritative and cutting-edge, Computational Drug Discovery and Design, Second Edition aims to effectively utilize computational methodologies in discovery and design of novel drugs.

Data Analytics in Medicine: Concepts, Methodologies, Tools, and Applications

Author : Management Association, Information Resources
Publisher : IGI Global
ISBN 13 : 1799812057
Total Pages : 2071 pages
Book Rating : 4.7/5 (998 download)

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Book Synopsis Data Analytics in Medicine: Concepts, Methodologies, Tools, and Applications by : Management Association, Information Resources

Download or read book Data Analytics in Medicine: Concepts, Methodologies, Tools, and Applications written by Management Association, Information Resources and published by IGI Global. This book was released on 2019-12-06 with total page 2071 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advancements in data science have created opportunities to sort, manage, and analyze large amounts of data more effectively and efficiently. Applying these new technologies to the healthcare industry, which has vast quantities of patient and medical data and is increasingly becoming more data-reliant, is crucial for refining medical practices and patient care. Data Analytics in Medicine: Concepts, Methodologies, Tools, and Applications is a vital reference source that examines practical applications of healthcare analytics for improved patient care, resource allocation, and medical performance, as well as for diagnosing, predicting, and identifying at-risk populations. Highlighting a range of topics such as data security and privacy, health informatics, and predictive analytics, this multi-volume book is ideally designed for doctors, hospital administrators, nurses, medical professionals, IT specialists, computer engineers, information technologists, biomedical engineers, data-processing specialists, healthcare practitioners, academicians, and researchers interested in current research on the connections between data analytics in the field of medicine.

Pharmaceutical Sciences: Breakthroughs in Research and Practice

Author : Management Association, Information Resources
Publisher : IGI Global
ISBN 13 : 1522517634
Total Pages : 1584 pages
Book Rating : 4.5/5 (225 download)

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Book Synopsis Pharmaceutical Sciences: Breakthroughs in Research and Practice by : Management Association, Information Resources

Download or read book Pharmaceutical Sciences: Breakthroughs in Research and Practice written by Management Association, Information Resources and published by IGI Global. This book was released on 2016-12-28 with total page 1584 pages. Available in PDF, EPUB and Kindle. Book excerpt: The delivery of optimal pharmaceutical services to patients is a pivotal concern in the healthcare field. By examining current trends and techniques in the industry, processes can be maintained and improved. Pharmaceutical Sciences: Breakthroughs in Research and Practice provides comprehensive coverage of the latest innovations and advancements for pharmaceutical applications. Focusing on emerging drug development techniques and drug delivery for improved health outcomes, this book is ideally designed for medical professionals, pharmacists, researchers, academics, and upper-level students within the growing pharmaceutical industry.

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

Author : Kunal Roy
Publisher : Academic Press
ISBN 13 : 0128016337
Total Pages : 484 pages
Book Rating : 4.1/5 (28 download)

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Book Synopsis Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment by : Kunal Roy

Download or read book Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment written by Kunal Roy and published by Academic Press. This book was released on 2015-03-03 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 and engaging manner, this is the ideal resource for all those looking for general and practical knowledge of QSAR methods. Includes numerous practical examples related to QSAR methods and applications Follows the Organization for Economic Co-operation and Development principles for QSAR model development Discusses related techniques such as structure-based design and the combination of structure- and ligand-based design tools