Development And Application Of Tools For Structure Based Library Design
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Development And Application Of Tools For Structure Based Library Design
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Author : Keith W. Burdick
language : en
Publisher:
Release Date : 2001
Development And Application Of Tools For Structure Based Library Design written by Keith W. Burdick and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001 with categories.
Applications Of Computational Tools In Drug Design And Development
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Author : S.N. Koteswara Rao G.
language : en
Publisher: Springer Nature
Release Date : 2025-05-20
Applications Of Computational Tools In Drug Design And Development written by S.N. Koteswara Rao G. and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-05-20 with Medical categories.
This book provides a comprehensive overview of the role of computers and computational tools at different stages of drug discovery and development. Designed to meet the needs of a beginner to advanced learner, the book provides the information on the tools, how they work, with the latest reports on applications in drug design, drug delivery and building network pharmacology models. Part I explores the pharmacological aspects, covering computational simulation of drug delivery at the molecular level, modeling for formulation design, and the revolutionary use of computational fluid dynamics in pharmaceutical processes. Specific applications such as pharmaceutical die filling processes, inhalation aerosol-based targeted drug delivery, and the development of inhalation compounds using in silico modeling tools are discussed. The use of computational tools in cheminformatics and their application in preformulation perspectives for drug delivery are also included. Part II expands the scope to include solubility prediction, absorption prediction, protein binding prediction, bio-permeability prediction, toxicity prediction, and metabolism prediction. It covers the identification of potential sites of metabolism in lead molecules and computer-assisted simulation studies to understand drug-polymer interactions. Recent advances in drug likeness screening using software and online tools are also reviewed. Part III focuses on specific therapeutic areas. The chapters examine the mechanistic understanding of anti-Alzheimer's agents, the design of novel antidiabetic agents, and the exploration of drug design for atherosclerosis. It also covers modern computational intelligence-based drug repurposing for cancer therapeutics, computational analyses of the mechanism of action of antiepileptic agents, and rational approaches for designing antihypertensive agents. The final chapters explore drug discovery and computational strategies in the context of multi-drug-resistant tuberculosis and the network pharmacology approach to uncover the pharmacological mechanisms of natural products. The book will be a useful reference for researchers, students and professionals in the field of life sciences, chemistry, pharmaceutics and bioinformatics.
Combinatorial Library Design And Evaluation
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Author : Arup Ghose
language : en
Publisher: CRC Press
Release Date : 2001-06-26
Combinatorial Library Design And Evaluation written by Arup Ghose and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001-06-26 with Medical categories.
This text traces developments in rational drug discovery and combinatorial library design with contributions from 50 leading scientists in academia and industry who offer coverage of basic principles, design strategies, methodologies, software tools and algorithms, and applications. It outlines the fundamentals of pharmacophore modelling and 3D Qua
Computer Applications In Pharmaceutical Research And Development
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Author : Sean Ekins
language : en
Publisher: John Wiley & Sons
Release Date : 2006-06-30
Computer Applications In Pharmaceutical Research And Development written by Sean Ekins and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-06-30 with Medical categories.
A unique, holistic approach covering all functions and phases of pharmaceutical research and development While there are a number of texts dedicated to individual aspects of pharmaceutical research and development, this unique contributed work takes a holistic and integrative approach to the use of computers in all phases of drug discovery, development, and marketing. It explains how applications are used at various stages, including bioinformatics, data mining, predicting human response to drugs, and high-throughput screening. By providing a comprehensive view, the book offers readers a unique framework and systems perspective from which they can devise strategies to thoroughly exploit the use of computers in their organizations during all phases of the discovery and development process. Chapters are organized into the following sections: * Computers in pharmaceutical research and development: a general overview * Understanding diseases: mining complex systems for knowledge * Scientific information handling and enhancing productivity * Computers in drug discovery * Computers in preclinical development * Computers in development decision making, economics, and market analysis * Computers in clinical development * Future applications and future development Each chapter is written by one or more leading experts in the field and carefully edited to ensure a consistent structure and approach throughout the book. Figures are used extensively to illustrate complex concepts and multifaceted processes. References are provided in each chapter to enable readers to continue investigating a particular topic in depth. Finally, tables of software resources are provided in many of the chapters. This is essential reading for IT professionals and scientists in the pharmaceutical industry as well as researchers involved in informatics and ADMET, drug discovery, and technology development. The book's cross-functional, all-phases approach provides a unique opportunity for a holistic analysis and assessment of computer applications in pharmaceutics.
Software Applications Concepts Methodologies Tools And Applications
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Author : Tiako, Pierre F.
language : en
Publisher: IGI Global
Release Date : 2009-03-31
Software Applications Concepts Methodologies Tools And Applications written by Tiako, Pierre F. and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-03-31 with Computers categories.
Includes articles in topic areas such as autonomic computing, operating system architectures, and open source software technologies and applications.
Dissertation Abstracts International
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Author :
language : en
Publisher:
Release Date : 2006
Dissertation Abstracts International written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006 with Dissertations, Academic categories.
Statistical Modelling Of Molecular Descriptors In Qsar Qspr
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Author : Matthias Dehmer
language : en
Publisher: John Wiley & Sons
Release Date : 2012-09-13
Statistical Modelling Of Molecular Descriptors In Qsar Qspr written by Matthias Dehmer and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-09-13 with Medical categories.
This handbook and ready reference presents a combination of statistical, information-theoretic, and data analysis methods to meet the challenge of designing empirical models involving molecular descriptors within bioinformatics. The topics range from investigating information processing in chemical and biological networks to studying statistical and information-theoretic techniques for analyzing chemical structures to employing data analysis and machine learning techniques for QSAR/QSPR. The high-profile international author and editor team ensures excellent coverage of the topic, making this a must-have for everyone working in chemoinformatics and structure-oriented drug design.
Computational Science And Its Applications Iccsa 2006
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Author : Marina L. Gavrilova
language : en
Publisher: Springer Science & Business Media
Release Date : 2006
Computational Science And Its Applications Iccsa 2006 written by Marina L. Gavrilova and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006 with Computational complexity categories.
Bioinformatics Fifth Edition
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Author : RASTOGI, S.C.
language : en
Publisher: PHI Learning Pvt. Ltd.
Release Date : 2022-04-05
Bioinformatics Fifth Edition written by RASTOGI, S.C. and has been published by PHI Learning Pvt. Ltd. this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-04-05 with Science categories.
Designed as a comprehensive text for students and professionals pursuing careers in the fields of bioinformatics, molecular biology, pharmacy and drug research, the Fifth Edition continues to offer a fascinating and authoritative treatment of the entire spectrum of bioinformatics, covering a wide range of high-throughput technologies. The content can be used for four core courses: bioinformatics fundamentals, genomics, proteomics and drug discovery and design. The Fifth Edition takes a completely new pedagogical approach and the book is divided into eight distinct Units for the ease of learning: Bioinformatics Fundamentals, Sequence Alignment, Phylogenetic Analysis, Genomics, Protein Structure and Function, Drug Discovery Methods, Drug Design and Development and Integrative Topics. Accordingly, all the chapters are revised and updated in the new edition, besides introduction of seven new chapters and another seven completely re-written chapters. As a student-friendly text, it embodies several pedagogical features such as detailed examples, numerous tables, a large number of diagrams, flow charts and web resources. The book in its present edition should prove an invaluable asset to the students and researchers in the fields of bioinformatics, biotechnology, computer-aided drug design, information technology, medical diagnostics, molecular biology and pharmaceutical sciences. NEW TO THE FIFTH EDITION • Re-written chapters — Biological database search and data retrieval, Pair-wise alignment of sequences, PSSMs and Hidden Markov Models, Gene Mapping, Gene Prediction, Protein Structure Overview and Protein Structure Prediction. • Inclusion of new chapters—Scoring Matrices, Gene Sequencing, Regulatory Elements Prediction, Comparative Genomics, Protein Structure Databases, Protein Function Prediction and Potential Drug Targets. KEY FEATURES • Covers the field of bioinformatics in a complete and integrated approach – moving from the fundamentals to theory and practical applications. • State-of-the-art technologies for gene identification, molecular modeling and monitoring of cellular processes. • Data mining, data curation and analysis, classification, interpretation and efficient structure determination of genomes and proteomes. • Companion website provides useful resources for the teachers as well as for the students. So, visit Learning Centre https:// www.phindia.com/bioinformatics_mendiratta_rastogi to have access of Lecture notes, solutions manual, MCQs, problems set for practice, glossary of important terms, etc. TARGET AUDIENCE • UG and PG Students of Bioinformatics, Biotechnology, Molecular Biology and Pharmacy.
Biomolecular Simulations In Structure Based Drug Discovery
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Author : Francesco L. Gervasio
language : en
Publisher: John Wiley & Sons
Release Date : 2019-04-29
Biomolecular Simulations In Structure Based Drug Discovery written by Francesco L. Gervasio and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-04-29 with Medical categories.
A guide to applying the power of modern simulation tools to better drug design Biomolecular Simulations in Structure-based Drug Discovery offers an up-to-date and comprehensive review of modern simulation tools and their applications in real-life drug discovery, for better and quicker results in structure-based drug design. The authors describe common tools used in the biomolecular simulation of drugs and their targets and offer an analysis of the accuracy of the predictions. They also show how to integrate modeling with other experimental data. Filled with numerous case studies from different therapeutic fields, the book helps professionals to quickly adopt these new methods for their current projects. Experts from the pharmaceutical industry and academic institutions present real-life examples for important target classes such as GPCRs, ion channels and amyloids as well as for common challenges in structure-based drug discovery. Biomolecular Simulations in Structure-based Drug Discovery is an important resource that: -Contains a review of the current generation of biomolecular simulation tools that have the robustness and speed that allows them to be used as routine tools by non-specialists -Includes information on the novel methods and strategies for the modeling of drug-target interactions within the framework of real-life drug discovery and development -Offers numerous illustrative case studies from a wide-range of therapeutic fields -Presents an application-oriented reference that is ideal for those working in the various fields Written for medicinal chemists, professionals in the pharmaceutical industry, and pharmaceutical chemists, Biomolecular Simulations in Structure-based Drug Discovery is a comprehensive resource to modern simulation tools that complement and have the potential to complement or replace laboratory assays for better results in drug design.