Computational Approaches In Drug Discovery And Precision Medicine

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Computational Approaches In Drug Discovery And Precision Medicine

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Author : Zunnan Huang
language : en
Publisher: Frontiers Media SA
Release Date : 2021-03-15

Computational Approaches In Drug Discovery And Precision Medicine written by Zunnan Huang 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 2021-03-15 with Science categories.

Converging Pharmacy Science And Engineering In Computational Drug Discovery

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Author : Tripathi, Rati Kailash Prasad
language : en
Publisher: IGI Global
Release Date : 2024-04-22

Converging Pharmacy Science And Engineering In Computational Drug Discovery written by Tripathi, Rati Kailash Prasad and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-04-22 with Medical categories.

The world of pharmaceutical research is moving at lightning speed, and the age-old approach to drug discovery faces many challenges. It's a fascinating time to be on the cutting edge of medical innovation, but it's certainly not without its obstacles. The process of developing new drugs is often time-consuming, expensive, and fraught with uncertainty. Researchers are constantly seeking ways to streamline this process, reduce costs, and increase the success rate of bringing new drugs to market. One promising solution lies in the convergence of pharmacy science and engineering, particularly in computational drug discovery. Converging Pharmacy Science and Engineering in Computational Drug Discovery presents a comprehensive solution to these challenges by exploring the transformative synergy between pharmacy science and engineering. This book demonstrates how researchers can expedite the identification and development of novel therapeutic compounds by harnessing the power of computational approaches, such as sophisticated algorithms and modeling techniques. Through interdisciplinary collaboration, pharmacy scientists and engineers can revolutionize drug discovery, paving the way for more efficient and effective treatments. This book is an invaluable resource for pharmaceutical scientists, researchers, and engineers seeking to enhance their understanding of computational drug discovery. This book inspires future innovations by showcasing cutting-edge methodologies and innovative research at the intersection of pharmacy science and engineering. It contributes to the ongoing evolution of pharmaceutical research. It offers practical insights and solutions that will shape the future of drug discovery, making it essential reading for anyone involved in the pharmaceutical industry.

Bioinformatics And Biomedical Engineering

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Author : Ignacio Rojas
language : en
Publisher: Springer Nature
Release Date : 2020-04-30

Bioinformatics And Biomedical Engineering written by Ignacio Rojas and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-04-30 with Science categories.

This volume constitutes the proceedings of the 8th International Work-Conference on IWBBIO 2020, held in Granada, Spain, in May 2020. The total of 73papers presented in the proceedings, was carefully reviewed and selected from 241 submissions. The papers are organized in topical sections as follows: Biomarker Identification; Biomedical Engineering; Biomedical Signal Analysis; Bio-Nanotechnology; Computational Approaches for Drug Design and Personalized Medicine; Computational Proteomics and Protein-Protein Interactions; Data Mining from UV/VIS/NIR Imaging and Spectrophotometry; E-Health Technology, Services and Applications; Evolving Towards Digital Twins in Healthcare (EDITH); High Performance in Bioinformatics; High-Throughput Genomics: Bioinformatic Tools and Medical Applications; Machine Learning in Bioinformatics; Medical Image Processing; Simulation and Visualization of Biological Systems.

Computational Drug Discovery

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Author : Pooja A. Chawla
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2024-10-07

Computational Drug Discovery written by Pooja A. Chawla and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-10-07 with Science categories.

Computational methods and understanding computational models are important in modern drug discovery. The book focuses on computational approaches that can improve the development of in silico methodologies. It includes lead hit methods, docking algorithms, computational chiral compounds, structure-based drug design, GROMACS and NAMD, structural genomics, toxicity prediction, enzyme inhibitors and peptidomimetic therapeutics

High Performance Computing For Drug Discovery And Biomedicine

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Author : Alexander Heifetz
language : en
Publisher: Springer Nature
Release Date : 2023-09-13

High Performance Computing For Drug Discovery And Biomedicine written by Alexander Heifetz and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-09-13 with Science categories.

This volume explores the application of high-performance computing (HPC) technologies to computational drug discovery (CDD) and biomedicine. The first section collects CDD approaches that, together with HPC, can revolutionize and automate drug discovery process, such as knowledge graphs, natural language processing (NLP), Bayesian optimization, automated virtual screening platforms, alchemical free energy workflows, fragment-molecular orbitals (FMO), HPC-adapted molecular dynamic simulation (MD-HPC), and the potential of cloud computing for drug discovery. The second section delves into computational algorithms and workflows for biomedicine, featuring an HPC framework to assess drug-induced arrhythmic risk, digital patient applications relevant to the clinic, virtual human simulations, cellular and whole-body blood flow modeling for stroke treatments, prediction of the femoral bone strength from CT data, and many more subjects. Written for the highly successful Methods in Molecular Biology series, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step and readily reproducible modeling protocols, and tips on troubleshooting and avoiding known pitfalls. Authoritative and practical, High Performance Computing for Drug Discovery and Biomedicine allows a diverse audience, including computer scientists, computational and medicinal chemists, biologists, clinicians, pharmacologists and drug designers, to navigate the complex landscape of what is currently possible and to understand the challenges and future directions of HPC-based technologies.

Diagnostic Advances In Precision Medicine And Drug Development

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Author : Emmanuel Kwaku Ofori
language : en
Publisher: CRC Press
Release Date : 2025-06-18

Diagnostic Advances In Precision Medicine And Drug Development written by Emmanuel Kwaku Ofori and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-06-18 with Medical categories.

To arrive at the most appropriate decision regarding patient management, an essential step for medical practitioners is to determine a correct and accurate diagnosis of the patient’s condition. In recent years there have been significant technological efforts in chemistry, biochemistry, laboratory science, and biotechnology toward improving disease diagnosis and management in patients. Further, drug developers have utilized some of these novel diagnostic methods during preclinical and clinical trials that have led to creating efficiencies in their development processes. This book provides an overview of diagnostic procedures that aid in precision medicine and the drug development process. Presents innovative methodologies for diagnostic testing that will be beneficial to biomedical science researchers and health professionals Discusses recent significant technological advancement toward improving disease diagnosis Describes recent developments in spectroscopic and chromatographic methods that will be of interest to pharma companies and scientists in chemistry, biochemistry and pharmacology Gives an overview of the integration of artificial intelligence in digital health that will be beneficial to biotechnologists, bioengineers, health professionals and people in regulatory agencies Is suitable globally for graduate and postgraduate students studying laboratory medicine

Computational Methods For Rational Drug Design

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Author : Mithun Rudrapal
language : en
Publisher: John Wiley & Sons
Release Date : 2024-12-06

Computational Methods For Rational Drug Design written by Mithun Rudrapal 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 2024-12-06 with Science categories.

Comprehensive resource covering computational tools and techniques for the development of cost-effective drugs to combat diseases, with specific disease examples Computational Methods for Rational Drug Design covers the tools and techniques of drug design with applications to the discovery of small molecule-based therapeutics, detailing methodologies and practical applications and addressing the challenges of techniques like AI/ML and drug design for unknown receptor structures. Divided into 23 chapters, the contributors address various cutting-edge areas of therapeutic importance such as neurodegenerative disorders, cancer, multi-drug resistant bacterial infections, inflammatory diseases, and viral infections. Edited by a highly qualified academic with significant research contributions to the field, Computational Methods for Rational Drug Design explores topics including: Computer-assisted methods and tools for structure- and ligand-based drug design, virtual screening and lead discovery, and ADMET and physicochemical assessments In silico and pharmacophore modeling, fragment-based design, de novo drug design and scaffold hopping, network-based methods and drug discovery Rational design of natural products, peptides, enzyme inhibitors, drugs for neurodegenerative disorders, anti-inflammatory therapeutics, antibacterials for multi-drug resistant infections, and antiviral and anticancer therapeutics Protac and protide strategies in drug design, intrinsically disordered proteins (IDPs) in drug discovery and lung cancer treatment through ALK receptor-targeted drug metabolism and pharmacokinetics Helping readers seamlessly navigate the challenges of drug design, Computational Methods for Rational Drug Design is an essential reference for pharmaceutical and medicinal chemists, biochemists, pharmacologists, and phytochemists, along with molecular modeling and computational drug discovery professionals.

Biomarkers In Drug Development

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Author : Michael R. Bleavins
language : en
Publisher: John Wiley & Sons
Release Date : 2011-09-20

Biomarkers In Drug Development written by Michael R. Bleavins 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 2011-09-20 with Medical categories.

Discover how biomarkers can boost the success rate of drug development efforts As pharmaceutical companies struggle to improve the success rate and cost-effectiveness of the drug development process, biomarkers have emerged as a valuable tool. This book synthesizes and reviews the latest efforts to identify, develop, and integrate biomarkers as a key strategy in translational medicine and the drug development process. Filled with case studies, the book demonstrates how biomarkers can improve drug development timelines, lower costs, facilitate better compound selection, reduce late-stage attrition, and open the door to personalized medicine. Biomarkers in Drug Development is divided into eight parts: Part One offers an overview of biomarkers and their role in drug development. Part Two highlights important technologies to help researchers identify new biomarkers. Part Three examines the characterization and validation process for both drugs and diagnostics, and provides practical advice on appropriate statistical methods to ensure that biomarkers fulfill their intended purpose. Parts Four through Six examine the application of biomarkers in discovery, preclinical safety assessment, clinical trials, and translational medicine. Part Seven focuses on lessons learned and the practical aspects of implementing biomarkers in drug development programs. Part Eight explores future trends and issues, including data integration, personalized medicine, and ethical concerns. Each of the thirty-eight chapters was contributed by one or more leading experts, including scientists from biotechnology and pharmaceutical firms, academia, and the U.S. Food and Drug Administration. Their contributions offer pharmaceutical and clinical researchers the most up-to-date understanding of the strategies used for and applications of biomarkers in drug development.

Computer Aided And Machine Learning Driven Drug Design

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Author : Vinícius Gonçalves Maltarollo
language : en
Publisher: Springer Nature
Release Date : 2025-02-27

Computer Aided And Machine Learning Driven Drug Design written by Vinícius Gonçalves Maltarollo and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-27 with Science categories.

The computer-aided drug design research field comprises several different knowledge areas, and often, researchers are only familiar or experienced with a small fraction of them. Indeed, pharmaceutical industries and large academic groups rely on a broad range of professionals, including chemists, biologists, pharmacists, and computer scientists. In this sense, it is difficult to be an expert in every single CADD approach. Furthermore, there are well-established methods that are constantly revisited, and novel approaches are introduced, such as machine-learning based scoring functions for molecular docking. This book provides an organized update of the most commonly employed CADD techniques, as well as successful examples of actual applications to develop bioactive compounds/drug candidates. Also includes is a section of case studies that cover certain pharmacological/target classes, focusing on the applications of the previously described methods. This part will especially appeal to professionals who are not as interested in the theoretical aspects of CADD. This is an ideal book for students, researchers, and industry professionals in the fields of pharmacy, chemistry, biology, bioinformatics, computer sciences, and medicine who are seeking a go-to reference on drug design and medicinal chemistry.

Accelerated Path To Cures

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Author : Josep Bassaganya-Riera
language : en
Publisher: Springer
Release Date : 2018-04-25

Accelerated Path To Cures written by Josep Bassaganya-Riera and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-04-25 with Medical categories.

Accelerated Path to Cures provides a transformative perspective on the power of combining advanced computational technologies, modeling, bioinformatics and machine learning approaches with nonclinical and clinical experimentation to accelerate drug development. This book discusses the application of advanced modeling technologies, from target identification and validation to nonclinical studies in animals to Phase 1-3 human clinical trials and post-approval monitoring, as alternative models of drug development. As a case of successful integration of computational modeling and drug development, we discuss the development of oral small molecule therapeutics for inflammatory bowel disease, from the application of docking studies to screening new chemical entities to the development of next-generation in silico human clinical trials from large-scale clinical data. Additionally, this book illustrates how modeling techniques, machine learning, and informatics can be utilized effectively at each stage of drug development to advance the progress towards predictive, preventive, personalized, precision medicine, and thus provide a successful framework for Path to Cures.