High Performance Computing for Drug Discovery and Biomedicine

Language: English

Published by Humana, 2024

1071634518 / 9781071634516

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Seller: AHA-BUCH GmbH, Einbeck, GermanyAHA-BUCH GmbH

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nach der Bestellung gedruckt Neuware - Printed after ordering - 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. Writtenfor the highly successfulMethods inMolecular Biologyseries, 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.…

Seller Inventory # 9781071634516

Title
High Performance Computing for Drug Discovery and Biomedicine
Author
Alexander Heifetz
Publisher
Humana
Publication year
2024
Condition
Neu
Binding
Taschenbuch
Language
English
ISBN 10
1071634518
ISBN 13
9781071634516
Item weight
829 grams
Dimensions
254x178x24 mm

AHA-BUCH GmbH

Einbeck, Germany

5-star seller

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