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Ensemble Methods In Computational Protein And Ligand Design
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Book Synopsis Computational Intelligence in Protein-Ligand Interaction Analysis by : Bing Wang
Download or read book Computational Intelligence in Protein-Ligand Interaction Analysis written by Bing Wang and published by Academic Press. This book was released on 2024-03-22 with total page 280 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Intelligence in Protein-Ligand Interaction Analysis presents computational techniques for predicting protein-ligand interactions, recognizing protein interaction sites, and identifying protein drug targets. The book emphasizes novel approaches to protein-ligand interactions, including machine learning and deep learning, presenting a state-of-the-art suite of skills for researchers. The volume represents a resource for scientists, detailing the fundamentals of computational methods, showing how to use computational algorithms to study protein interaction data, and giving scientific explanations for biological data through computational intelligence. Fourteen chapters offer a comprehensive guide to protein interaction data and computational intelligence methods for protein-ligand interactions. - Presents a guide to computational techniques for protein-ligand interaction analysis - Guides researchers in developing advanced computational intelligence methods for the protein-ligand problem - Identifies appropriate computational tools for various problems - Demonstrates the use of advanced techniques such as vector machine, neural networks, and machine learning - Offers the computational, mathematical and statistical skills researchers need
Book Synopsis Algorithms in Structural Molecular Biology by : Bruce R. Donald
Download or read book Algorithms in Structural Molecular Biology written by Bruce R. Donald and published by MIT Press. This book was released on 2023-08-15 with total page 497 pages. Available in PDF, EPUB and Kindle. Book excerpt: An overview of algorithms important to computational structural biology that addresses such topics as NMR and design and analysis of proteins.Using the tools of information technology to understand the molecular machinery of the cell offers both challenges and opportunities to computational scientists. Over the past decade, novel algorithms have been developed both for analyzing biological data and for synthetic biology problems such as protein engineering. This book explains the algorithmic foundations and computational approaches underlying areas of structural biology including NMR (nuclear magnetic resonance); X-ray crystallography; and the design and analysis of proteins, peptides, and small molecules. Each chapter offers a concise overview of important concepts, focusing on a key topic in the field. Four chapters offer a short course in algorithmic and computational issues related to NMR structural biology, giving the reader a useful toolkit with which to approach the fascinating yet thorny computational problems in this area. A recurrent theme is understanding the interplay between biophysical experiments and computational algorithms. The text emphasizes the mathematical foundations of structural biology while maintaining a balance between algorithms and a nuanced understanding of experimental data. Three emerging areas, particularly fertile ground for research students, are highlighted: NMR methodology, design of proteins and other molecules, and the modeling of protein flexibility. The next generation of computational structural biologists will need training in geometric algorithms, provably good approximation algorithms, scientific computation, and an array of techniques for handling noise and uncertainty in combinatorial geometry and computational biophysics. This book is an essential guide for young scientists on their way to research success in this exciting field.
Book Synopsis Computational Protein Design by : Ilan Samish
Download or read book Computational Protein Design written by Ilan Samish and published by Humana. This book was released on 2016-12-03 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim this volume is to present the methods, challenges, software, and applications of this widespread and yet still evolving and maturing field. Computational Protein Design, the first book with this title, guides readers through computational protein design approaches, software and tailored solutions to specific case-study targets. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and cutting-edge, Computational Protein Design aims to ensure successful results in the further study of this vital field.
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 477 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.
Book Synopsis Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design, Volume II by : Adriano D. Andricopulo
Download or read book Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design, Volume II written by Adriano D. Andricopulo and published by Frontiers Media SA. This book was released on 2022-07-27 with total page 325 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Drug Design using Machine Learning by : Inamuddin
Download or read book Drug Design using Machine Learning written by Inamuddin and published by John Wiley & Sons. This book was released on 2022-11-15 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: DRUG DESIGN USING MACHINE LEARNING The use of machine learning algorithms in drug discovery has accelerated in recent years and this book provides an in-depth overview of the still-evolving field. The objective of this book is to bring together several chapters that function as an overview of the use of machine learning and artificial intelligence applied to drug development. The initial chapters discuss drug-target interactions through machine learning for improving drug delivery, healthcare, and medical systems. Further chapters also provide topics on drug repurposing through machine learning, drug designing, and ultimately discuss drug combinations prescribed for patients with multiple or complex ailments. This excellent overview Provides a broad synopsis of machine learning and artificial intelligence applications to the advancement of drugs; Details the use of molecular recognition for drug development through various mathematical models; Highlights classical as well as machine learning-based approaches to study target-drug interactions in the field of drug discovery; Explores computer-aided technics for prediction of drug effectiveness and toxicity. Audience The book will be useful for information technology professionals, pharmaceutical industry workers, engineers, university researchers, medical practitioners, and laboratory workers who have a keen interest in the area of machine learning and artificial intelligence approaches applied to drug advancements.
Book Synopsis Annual Reports in Computational Chemistry by : David Spellmeyer
Download or read book Annual Reports in Computational Chemistry written by David Spellmeyer and published by Elsevier. This book was released on 2006-11-06 with total page 347 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annual Reports in Computational Chemistry is a new periodical providing timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Each volume is organized into (thematic) sections with contributions written by experts. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Annual Reports in Computational Chemistry is a 'must' for researchers and students wishing to stay up-to-date on current developments in computational chemistry.* Broad coverage of computational chemistry and up-to-date information * The topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings * Each chapter reviews the most recent literature on a specific topic of interest to computational chemists
Book Synopsis Annual reports in computational chemistry. 2 by : [Anonymus AC06579881]
Download or read book Annual reports in computational chemistry. 2 written by [Anonymus AC06579881] and published by Elsevier. This book was released on 2005 with total page 347 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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 386 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.
Book Synopsis Research in Computational Molecular Biology by : Teresa M. Przytycka
Download or read book Research in Computational Molecular Biology written by Teresa M. Przytycka and published by Springer. This book was released on 2015-03-25 with total page 385 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book constitutes the refereed proceedings of the 19th Annual International Conference on Research in Computational Molecular Biology, RECOMB 2015, held in Warsaw, Poland, in April 2015. The 36 extended abstracts were carefully reviewed and selected from 170 submissions. They report on original research in all areas of computational molecular biology and bioinformatics.
Book Synopsis Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development by : Kunal Roy
Download or read book Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development written by Kunal Roy and published by Elsevier. This book was released on 2023-05-23 with total page 768 pages. Available in PDF, EPUB and Kindle. Book excerpt: Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development aims at showcasing different structure-based, ligand-based, and machine learning tools currently used in drug design. It also highlights special topics of computational drug design together with the available tools and databases. The integrated presentation of chemometrics, cheminformatics, and machine learning methods under is one of the strengths of the book.The first part of the content is devoted to establishing the foundations of the area. Here recent trends in computational modeling of drugs are presented. Other topics present in this part include QSAR in medicinal chemistry, structure-based methods, chemoinformatics and chemometric approaches, and machine learning methods in drug design. The second part focuses on methods and case studies including molecular descriptors, molecular similarity, structure-based based screening, homology modeling in protein structure predictions, molecular docking, stability of drug receptor interactions, deep learning and support vector machine in drug design. The third part of the book is dedicated to special topics, including dedicated chapters on topics ranging from de design of green pharmaceuticals to computational toxicology. The final part is dedicated to present the available tools and databases, including QSAR databases, free tools and databases in ligand and structure-based drug design, and machine learning resources for drug design. The final chapters discuss different web servers used for identification of various drug candidates. - Presents chemometrics, cheminformatics and machine learning methods under a single reference - Showcases the different structure-based, ligand-based and machine learning tools currently used in drug design - Highlights special topics of computational drug design and available tools and databases
Book Synopsis Research in Computational Molecular Biology by : S. Cenk Sahinalp
Download or read book Research in Computational Molecular Biology written by S. Cenk Sahinalp and published by Springer. This book was released on 2017-04-13 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book constitutes the proceedings of the 21th Annual Conference on Research in Computational Molecular Biology, RECOMB 2017, held in Hong Kong, China, in May 2017. The 22 regular papers presented in this volume were carefully reviewed and selected from 184 submissions. 16 short abstracts are included in the back matter of the volume. They report on original research in all areas of computational molecular biology and bioinformatics
Book Synopsis Proceedings of the ... Annual International Conference on Computational Molecular Biology by :
Download or read book Proceedings of the ... Annual International Conference on Computational Molecular Biology written by and published by . This book was released on 2004 with total page 378 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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
Book Synopsis Research in Computational Molecular Biology by : Vineet Bafna
Download or read book Research in Computational Molecular Biology written by Vineet Bafna and published by Springer. This book was released on 2011-03-24 with total page 595 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book constitutes the refereed proceedings of the 15th Annual International Conference on Research in Computational Molecular Biology, RECOMB 2011, held in Vancouver, Canada, in March 2011. The 43 revised full papers were carefully reviewed and selected from 153 submissions. The papers cover a wide range of topics including molecular sequence analysis; recognition of genes and regulatory elements; molecular evolution; gene expression; biological networks; sequencing and genotyping technologies; genomics; population, statistical genetics; systems biology; imaging; computational proteomics; molecular structural biology.
Book Synopsis Proceedings of the ... Annual International Conference on Research in Computational Molecular Biology by :
Download or read book Proceedings of the ... Annual International Conference on Research in Computational Molecular Biology written by and published by . This book was released on 2004 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis In Silico Methods for Drug Design and Discovery by : Simone Brogi
Download or read book In Silico Methods for Drug Design and Discovery written by Simone Brogi and published by Frontiers Media SA. This book was released on 2020-10-09 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.
