Author: Alexander Heifetz
Publisher: Springer Nature
ISBN: 1071634496
Category : Science
Languages : en
Pages : 430
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Book Description
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.
Author: Alexander Heifetz
Publisher: Humana
ISBN: 9781071634486
Category : Science
Languages : en
Pages : 0
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Book Description
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.
Author: Khang, Alex
Publisher: IGI Global
ISBN:
Category : Science
Languages : en
Pages : 510
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Book Description
In a world driven by technology and data, classical computing faces limitations in tackling complex challenges like climate modeling and financial risk assessment. These barriers impede our aspirations to revolutionize industries and solve intricate real-world problems. To bridge this gap, we must embrace quantum computing. Edited by Alex Khang PH, Principles and Applications of Quantum Computing is a transformative solution to this challenge. It delves into the interdisciplinary realms of computer science, physics, and mathematics, unveiling the incredible potential of quantum computing, which outperforms supercomputers by 158 million times. This technology, rooted in quantum mechanics, offers solutions to global problems and opens new frontiers in AI, cybersecurity, finance, drug development, and more. By engaging with this book, you become a pioneer in the quantum revolution, contributing to reshaping the limits of what's achievable in our digital age.
Author: Kushal Anjaria
Publisher: Cambridge Scholars Publishing
ISBN: 1036406679
Category : Business & Economics
Languages : en
Pages : 377
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Book Description
‘Relativity in Business: How Physics Shapes Management Science’ unveils the intriguing overlap between physics and management, providing a novel outlook on business strategy and organisational behaviour. It leverages concepts from motion, thermodynamics, quantum mechanics, and chaos theory, among others, to forge a groundbreaking framework for addressing business complexities. Aimed at managers, strategists, and academics, the book translates intricate physics into actionable insights for business challenges, such as optimising operations and leveraging chaos for organisational benefit. Through compelling case studies, it shows how applying physics principles can spur innovation and cultivate efficient, sustainable business practices. This text is a valuable tool for anyone interested in melding scientific principles with business strategy to enhance outcomes, making it a seminal read in the fusion of science and management.
Author: Ch. Satyanarayana
Publisher: Springer Nature
ISBN: 9811698856
Category : Computers
Languages : en
Pages : 652
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Book Description
This book comprises the proceedings of the 2nd International Conference on Computer Vision, High-Performance Computing, Smart Devices, and Networks (CHSN 2021). This book highlights the high-quality research articles in machine learning, computer vision, and networks. The content of this volume gives the reader an up-to-date picture of the state-of-the-art connection between computational intelligence, machine learning, and IoT. The papers included in this volume are peer-reviewed by experts in the related areas. The book will serve as a valuable reference resource for academics and researchers across the globe.
Author: Cannataro, Mario
Publisher: IGI Global
ISBN: 1605663751
Category : Medical
Languages : en
Pages : 960
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Book Description
"This book provides methodologies and developments of grid technologies applied in different fields of life sciences"--Provided by publisher.
Author: Marcelo C. R. Melo
Publisher: American Chemical Society
ISBN: 0841299234
Category : Computers
Languages : en
Pages : 218
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Book Description
Machine Learning for Drug Discovery is designed to suit the needs of graduate students, advanced undergraduates, chemists or biologists otherwise new to this research domain with minimal previous exposure to Machine Learning (ML) methods, or computational scientists with minimal exposure to medicinal chemistry. The e-book covers basic algorithmic theory, data representation methods, and generative modeling at a high level. The authors spotlight antibiotic discovery as a case study in ML for drug development and discuss diverse applications in drug-likeness prediction, antimicrobial resistance, and areas for future inquiry. For a more dynamic learning experience, open-source code demonstrations in Python are included.
Author: Lodewijk Bos
Publisher: Springer Science & Business Media
ISBN: 3642195547
Category : Technology & Engineering
Languages : en
Pages : 108
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Book Description
Swamy Laxminarayan was an outstanding researcher active in many diverse fields of science and technology. He was one of the most prominent biomedical scientists and his ideas influenced the Biomedical Technology substantially. This book tries to provide an overview on the multiple achievements of Swamy Laxminarayan. It presents a collection of his most outstanding publications and an overview on his outstanding life. This Volume is the second part of the liber amicorum in Memory of Swamy Laxminarayan.
Author: Parimala Thulasiraman
Publisher: Springer
ISBN: 3540747672
Category : Computers
Languages : en
Pages : 562
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Book Description
This book constitutes the refereed joint proceedings of seven international workshops held in conjunction with the 5th International Symposium on Parallel and Distributed Processing and Applications, ISPA 2007, held in Niagara Falls, Canada in August 2007. The 53 revised full papers presented were carefully selected from many high quality submissions. The workshops contribute to enlarging the spectrum of the more general topics treated in the ISPA 2007 main conference.
Author: Francisco Ortuño
Publisher: Springer
ISBN: 331916483X
Category : Computers
Languages : en
Pages : 710
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Book Description
The two volume set LNCS 9043 and 9044 constitutes the refereed proceedings of the Third International Conference on Bioinformatics and Biomedical Engineering, IWBBIO 2015, held in Granada, Spain in April 2015. The 134 papers presented were carefully reviewed and selected from 268 submissions. The scope of the conference spans the following areas: bioinformatics for healthcare and diseases, biomedical engineering, biomedical image analysis, biomedical signal analysis, computational genomics, computational proteomics, computational systems for modelling biological processes, eHealth, next generation sequencing and sequence analysis, quantitative and systems pharmacology, Hidden Markov Model (HMM) for biological sequence modeling, advances in computational intelligence for bioinformatics and biomedicine, tools for next generation sequencing data analysis, dynamics networks in system medicine, interdisciplinary puzzles of measurements in biological systems, biological networks, high performance computing in bioinformatics, computational biology and computational chemistry, advances in drug discovery and ambient intelligence for bio emotional computing.
