High Performance Computing for Drug Discovery and Biomedicine

Language: English

Published by Humana Sep 2024, 2024

1071634518 / 9781071634516

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This item is printed on demand - Print on Demand Titel. Neuware -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 inMolecular 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.Libri GmbH, Europaallee 1, 36244 Bad Hersfeld 444 pp. Englisch.…

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

buchversandmimpf2000

Emtmannsberg, BAYE, Germany

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