| 1. |
- Mirza, Usman Mazhar, et al.
(författare)
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Mapping and Scheduling of Dataflow Graphs - A Systematic Map
- 2014
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Konferensbidrag (refereegranskat)abstract
- Dataflow is a natural way of modelling streaming applications, such as multimedia, networking and other signal processing applications. In order to cope with the computational and parallelism demands of such streaming applications, multiprocessor systems are replacing uniprocessor systems. Mapping and scheduling these applications on multiprocessor systems are crucial elements for efficient implementation in terms of latency, throughput, power and energy consumption etc. Performance of streaming applications running on multiprocessor systems may widely vary with mapping and scheduling strategy. This paper performs a systematic literature review of available research carried out in the area of mapping and scheduling of dataflow graphs.
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| 2. |
- Salo-Ahen, Outi M. H., et al.
(författare)
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Molecular Dynamics Simulations in Drug Discovery and Pharmaceutical Development
- 2021
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Ingår i: Processes. - : MDPI. - 2227-9717. ; 9:1
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Forskningsöversikt (refereegranskat)abstract
- Molecular dynamics (MD) simulations have become increasingly useful in the modern drug development process. In this review, we give a broad overview of the current application possibilities of MD in drug discovery and pharmaceutical development. Starting from the target validation step of the drug development process, we give several examples of how MD studies can give important insights into the dynamics and function of identified drug targets such as sirtuins, RAS proteins, or intrinsically disordered proteins. The role of MD in antibody design is also reviewed. In the lead discovery and lead optimization phases, MD facilitates the evaluation of the binding energetics and kinetics of the ligand-receptor interactions, therefore guiding the choice of the best candidate molecules for further development. The importance of considering the biological lipid bilayer environment in the MD simulations of membrane proteins is also discussed, using G-protein coupled receptors and ion channels as well as the drug-metabolizing cytochrome P450 enzymes as relevant examples. Lastly, we discuss the emerging role of MD simulations in facilitating the pharmaceutical formulation development of drugs and candidate drugs. Specifically, we look at how MD can be used in studying the crystalline and amorphous solids, the stability of amorphous drug or drug-polymer formulations, and drug solubility. Moreover, since nanoparticle drug formulations are of great interest in the field of drug delivery research, different applications of nano-particle simulations are also briefly summarized using multiple recent studies as examples. In the future, the role of MD simulations in facilitating the drug development process is likely to grow substantially with the increasing computer power and advancements in the development of force fields and enhanced MD methodologies.
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