Tag: Drug

December 25, 2023

High Performance Computing for Drug Discovery and Biomedicine

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Free Download High Performance Computing for Drug Discovery and Biomedicine
English | 2023 | ISBN: 1071634488 | 783 Pages | PDF EPUB (True) | 55 MB
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.

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December 25, 2023

High Performance Computing for Drug Discovery and Biomedicine

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Free Download High Performance Computing for Drug Discovery and Biomedicine
English | 2023 | ISBN: 1071634488 | 783 Pages | PDF EPUB (True) | 55 MB
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.

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December 25, 2023

Drug Repurposing and Computational Drug Discovery Strategies and Advances

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Free Download Drug Repurposing and Computational Drug Discovery: Strategies and Advances
English | 2024 | ISBN: 1774912775 | 294 Pages | PDF (True) | 14 MB
Drug repurposing is defined as identifying new pharmacological indications from old, existing, failed, investigational, already marketed, or FDA-approved drugs and prodrugs, and applying these new uses in the treatment of diseases other than the drug’s original intended therapeutic use. The application of computational techniques in discovery research not only helps in the development of drugs from leads or existing drug molecules but can also be useful for the repurposing of existing drug candidates.

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December 25, 2023

Drug Discovery and Design Using Natural Products

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Free Download Drug Discovery and Design Using Natural Products
English | 2023 | ISBN: 3031352041 | 553 Pages | PDF EPUB (True) | 49 MB
Historically, natural products have great relevance for the development of new drugs. Natural molecules, in addition to directly providing new compounds with different therapeutic functions have provided scaffolds and a great diversity of structures that serve as inspiration for the design and discovery of new drugs. The great structural complexity and the significant number of natural compounds that can be obtained and their advantages also present some historical problems that need to be overcome. Issues such as difficulty in isolation, difficulty in synthesizing compounds found in nature in the laboratory, screening to evaluate the biological properties of these compounds, and structural optimization to enhance the pharmacological properties of biomolecules; are some of the main difficulties encountered in research with natural products and in the design/discovery of new medicines. Therefore, this book addresses the great scientific advances that provide practical solutions to using natural products to develop new drugs. We address topics related to the genesis of research projects that use natural products to design new drugs. We address the discovery of new species, initial processes for identification and extraction of compounds, isolation and identification of these structures, techniques, and advances in vitro and in vivo methods that support the discovery of new natural drugs, synthesis of new compounds from natural molecules, in silico optimization processes of potentially promising compounds.

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December 25, 2023

Deciphering Drug Targets for Alzheimer’s Disease

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Free Download Deciphering Drug Targets for Alzheimer’s Disease
English | 2023 | ISBN: 9819926564 | 678 Pages | PDF EPUB (True) | 44 MB
This book explains the fundamental characteristics and biofunctionality of Alzheimer’s Disease drug targets and provides up-to-date information on the full range of their biomedical applications. An introductory section gives an overview of the recent developments related to drug targets identified and studied related to Alzheimer’s Disease and key developments from preclinical and clinical studies focusing on various molecular targets related to AD and dementia by subject experts all around the globe. Here, individual chapters address the progress and perspectives in human and non-human research, role of various biomarkers as an overview, advanced gene therapy, and novel compounds for therapeutic targets for Alzheimer’s disease. The book will be essential reading for graduate students, scientists, and engineers in any of the biomedical research fields in which efforts are being made to utilize novel drug targets and develop effective strategies for new drug targeting and delivery in Alzheimer’s disease treatment.

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December 25, 2023

Computational Drug Discovery and Design (2nd Edition)

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Free Download Computational Drug Discovery and Design (2nd Edition)
English | 2023 | ISBN: 1071634402 | 656 Pages | PDF EPUB (True) | 56 MB
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.

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