High Performance Computing for Drug Discovery and Biomedicine [E-Book] / edited by Alexander Heifetz.
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 lan...
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Full text |
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Personal Name(s): | Heifetz, Alexander, editor |
Edition: |
1st edition 2024. |
Imprint: |
New York, NY :
Humana Press,
2024
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Physical Description: |
XIII, 429 pages (online resource) |
Note: |
englisch |
ISBN: |
9781071634493 |
DOI: |
10.1007/978-1-0716-3449-3 |
Series Title: |
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Methods in Molecular Biology ;
2716 |
Subject (LOC): |
- Introduction to Computational Biomedicine
- Introduction to High Performance Computing
- Computational Biomedicine (CompBioMed) Centre of Excellence: Selected Key Achievements
- In Silico Clinical Trials: Is It Possible?
- Bayesian Optimization in Drug Discovery
- Automated Virtual Screening
- The Future of Drug Development with Quantum Computing
- Edge, Fog, and Cloud Against Disease: The Potential of High-Performance Cloud Computing for Pharma Drug Discovery
- Knowledge Graphs and Their Applications in Drug Discovery
- Natural Language Processing for Drug Discovery Knowledge Graphs: Promises and Pitfalls
- Alchemical Free Energy Workflows for the Computation of Protein-Ligand Binding Affinities
- Molecular Dynamics and Other HPC Simulations for Drug Discovery
- High Throughput Structure-Based Drug Design (HT-SBDD) Using Drug Docking, Fragment Molecular Orbital Calculations, and Molecular Dynamic Techniques
- HPC Framework for Performing In Silico Trials Using a 3D Virtual Human Cardiac Population as Means to Assess Drug-Induced Arrhythmic Risk
- Effect of Muscle Forces on Femur during Level Walking Using a Virtual Population of Older Women
- Cellular Blood Flow Modeling with HemoCell
- A Blood Flow Modeling Framework for Stroke Treatments
- Efficient and Reliable Data Management for Biomedical Applications
- Accelerating COVID-19 Drug Discovery with High-Performance Computing
- Teaching Medical Students to Use Supercomputers: A Personal Reflection.