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Biophysical And Computational Tools In Drug Discovery

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Biophysical And Computational Tools In Drug Discovery

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Author : Anil Kumar Saxena
language : en
Publisher: Springer Nature
Release Date : 2021-10-18

Biophysical And Computational Tools In Drug Discovery written by Anil Kumar Saxena and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-10-18 with Science categories.

This book reviews recent physicochemical and biophysical techniques applied in drug discovery research, and it outlines the latest advances in computational drug design. Divided into 10 chapters, the book discusses about the role of structural biology in drug discovery, and offers useful application cases of several biophysical and computational methods, including time-resolved fluorometry (TRF) with Förster resonance energy transfer (FRET), X-Ray crystallography, nuclear magnetic resonance spectroscopy, mass spectroscopy, generative machine learning for inverse molecular design, quantum mechanics/molecular mechanics (QM/MM,ONIOM) and quantum molecular dynamics (QMT) methods. Particular attention is given to computational search techniques applied to peptide vaccines using novel mathematical descriptors and structure and ligand-based virtual screening techniques in drug discovery research. Given its scope, the book is a valuable resource for students, researchers and professionals from pharmaceutical industry interested in drug design and discovery.

Biophysical And Computational Tools In Drug Discovery

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Author : Anil Kumar Saxena
language : en
Publisher:
Release Date : 2021

Biophysical And Computational Tools In Drug Discovery written by Anil Kumar Saxena and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021 with categories.

Algorithms In Structural Molecular Biology

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Author : Bruce R. Donald
language : en
Publisher: MIT Press
Release Date : 2023-08-15

Algorithms In Structural Molecular Biology written by Bruce R. Donald and has been published by MIT Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-08-15 with Science categories.

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.

Biophysical Approaches Determining Ligand Binding To Biomolecular Targets

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Author : Alberto Podjarny
language : en
Publisher: Royal Society of Chemistry
Release Date : 2011

Biophysical Approaches Determining Ligand Binding To Biomolecular Targets written by Alberto Podjarny and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011 with Science categories.

This book provides a complete overview of current techniques to identify ligands, characterize their binding sites, and understand binding mechanisms. Suitable for biomolecular scientists at graduate or post-doctoral level in academia and industry.

The Fundamentals Of Biophysics

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Author :
language : en
Publisher: Cybellium
Release Date :

The Fundamentals Of Biophysics written by and has been published by Cybellium this book supported file pdf, txt, epub, kindle and other format this book has been release on with Science categories.

Welcome to the forefront of knowledge with Cybellium, your trusted partner in mastering the cutting-edge fields of IT, Artificial Intelligence, Cyber Security, Business, Economics and Science. Designed for professionals, students, and enthusiasts alike, our comprehensive books empower you to stay ahead in a rapidly evolving digital world. * Expert Insights: Our books provide deep, actionable insights that bridge the gap between theory and practical application. * Up-to-Date Content: Stay current with the latest advancements, trends, and best practices in IT, Al, Cybersecurity, Business, Economics and Science. Each guide is regularly updated to reflect the newest developments and challenges. * Comprehensive Coverage: Whether you're a beginner or an advanced learner, Cybellium books cover a wide range of topics, from foundational principles to specialized knowledge, tailored to your level of expertise. Become part of a global network of learners and professionals who trust Cybellium to guide their educational journey. www.cybellium.com

Concepts And Experimental Protocols Of Modelling And Informatics In Drug Design

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Author : Om Silakari
language : en
Publisher: Academic Press
Release Date : 2020-11-05

Concepts And Experimental Protocols Of Modelling And Informatics In Drug Design written by Om Silakari and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-11-05 with Medical categories.

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

Developability Of Biotherapeutics

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Author : Sandeep Kumar
language : en
Publisher: CRC Press
Release Date : 2015-11-18

Developability Of Biotherapeutics written by Sandeep Kumar and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-11-18 with Medical categories.

Biopharmaceuticals are emerging as frontline medicines to combat several life-threatening and chronic diseases. However, such medicines are expensive to develop and produce on a commercial scale, contributing to rising healthcare costs. Developability of Biotherapeutics: Computational Approaches describes applications of computational and molecular

Biophysical Techniques In Drug Discovery

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Author : Angeles Canales
language : en
Publisher: Royal Society of Chemistry
Release Date : 2017-11-14

Biophysical Techniques In Drug Discovery written by Angeles Canales and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-11-14 with Science categories.

Biophysical techniques are used in many key stages of the drug discovery process including in screening for new receptor ligands, in characterising drug mechanisms, and in validating data from biochemical and cellular assays. This book provides an overview of the biophysical methods applied in drug discovery today, including traditional techniques and newer developments. Perspectives from academia and industry across a spectrum of techniques are brought together in a single volume. Small and biotherapeutic approaches are covered and strengths and limitations of each technique are presented. Case studies illustrate the application of each technique in real applied examples. Finally, the book covers recent developments in areas such as electron microscopy with discussions of their possible impact on future drug discovery. This is a go-to volume for biophysicists, analytical chemists and medicinal chemists providing a broad overview of techniques of contemporary interest in drug discovery.

Global Trends In Health Technology And Management

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Author : Anil Kumar Saxena
language : en
Publisher: Springer Nature
Release Date : 2025-01-24

Global Trends In Health Technology And Management written by Anil Kumar Saxena and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-01-24 with Science categories.

This book presents the proceedings of the 1st International Symposium on Global Trends in Health, Technology and Management (GTHTM-2024), held on March 15-17, 2024, in Dehradun, India. It reports on recent advances in the interdisciplinary fields of health, technology, and management covering a broad spectrum of topics like drug discovery and development including diseases like cancer, tropical and lifestyle diseases, agroecology, artificial intelligence, and machine learning. The symposium is jointly organised by the Global Health Techno Management Forum and the Global Institute of Pharmaceutical Education and Research, Kashipur, India, together with the Veer Madho Singh Bhandari Uttarakhand Technical University, Dehradun, India. It builds on the success of previous conferences such as the International Symposium on Drug Design and Development Research (DDDR-2021), International Symposium on Current Trends in Pharmaceutical and Medical Sciences (CTPMS-2020), International seminar on Global Trends in Health and Environment (2016), International Seminar on Pharmaceutical Education and Research (ISPER-2010), and the 9th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources (CMTPI-2017). Offering a timely snapshot of cutting-edge, multidisciplinary research and developments in drug design and health sciences, these proceedings facilitate the transfer of these findings to industry and offer a unique perspective on One Health sustainability. As such, the book will appeal not only to students and researchers but also to professionals interested in these fields.

Progress And Challenges In Computational Structure Based Design And Development Of Biologic Drugs

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Author : Traian Sulea
language : en
Publisher: Frontiers Media SA
Release Date : 2024-03-25

Progress And Challenges In Computational Structure Based Design And Development Of Biologic Drugs written by Traian Sulea and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-03-25 with Science categories.

Biophysical And Computational Tools In Drug Discovery

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