Articles with "computational analyses" as a keyword



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Theoretical and computational analyses of LNG evaporator

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Published in 2017 at "Journal of Thermal Science"

DOI: 10.1007/s11630-017-0921-z

Abstract: Theoretical and numerical analysis on the fluid flow and heat transfer inside a LNG evaporator is conducted in this work. Methane is used instead of LNG as the operating fluid. This is because; methane constitutes… read more here.

Keywords: theoretical computational; computational analyses; methane; analyses lng ... See more keywords
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Computational analyses of interactions between ALK-5 and bioactive ligands: insights for the design of potential anticancer agents

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Published in 2018 at "Journal of Biomolecular Structure and Dynamics"

DOI: 10.1080/07391102.2017.1404938

Abstract: Activin Receptor-Like Kinase 5 (ALK-5) is related to some types of cancer, such as breast, lung, and pancreas. In this study, we have used molecular docking, molecular dynamics simulations, and free energy calculations in order… read more here.

Keywords: analyses interactions; interactions alk; computational analyses; bioactive ligands ... See more keywords
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Computational analyses of bacterial strains from shotgun reads

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Published in 2022 at "Briefings in bioinformatics"

DOI: 10.1093/bib/bbac013

Abstract: Shotgun sequencing is routinely employed to study bacteria in microbial communities. With the vast amount of shotgun sequencing reads generated in a metagenomic project, it is crucial to determine the microbial composition at the strain… read more here.

Keywords: computational analyses; bacterial strains; shotgun reads; strain ... See more keywords
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Computational Analyses Reveal Fundamental Properties of the Hemophilia Literature in the Last 6 Decades

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Published in 2022 at "Bioinformatics and Biology Insights"

DOI: 10.1177/11779322221125604

Abstract: Hemophilia is an inherited blood coagulation disorder caused by mutations on the coagulation factors VIII or IX genes. Although it is a relatively rare disease, the research community is actively working on this topic, producing… read more here.

Keywords: hemophilia literature; computational analyses; literature last; reveal fundamental ... See more keywords
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Discovery and Computational Analyses of Novel Small Molecule Zika Virus Inhibitors

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Published in 2019 at "Molecules"

DOI: 10.3390/molecules24081465

Abstract: Zika virus (ZIKV), one of the flaviviruses, has attracted worldwide attention since its large epidemics around Brazil. Association of ZIKV infection with microcephaly and neurological problems such as Guillain–Barré syndrome has prompted intensive pathological investigations.… read more here.

Keywords: computational analyses; analyses novel; novel small; zika virus ... See more keywords
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Green by Design: Convergent Synthesis, Computational Analyses, and Activity Evaluation of New FXa Inhibitors Bearing Peptide Triazole Linking Units

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Published in 2021 at "Pharmaceutics"

DOI: 10.3390/pharmaceutics14010033

Abstract: Green chemistry implementation has led to promising results in waste reduction in the pharmaceutical industry. However, the early sustainable development of pharmaceutically active compounds and ingredients remains a considerable challenge. Herein, we wish to report… read more here.

Keywords: green design; computational analyses; synthesis computational; synthesis ... See more keywords
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Proteomics Computational Analyses Suggest that the Antennavirus Glycoprotein Complex Includes a Class I Viral Fusion Protein (α-Penetrene) with an Internal Zinc-Binding Domain and a Stable Signal Peptide

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Published in 2019 at "Viruses"

DOI: 10.3390/v11080750

Abstract: A metatranscriptomic study of RNA viruses in cold-blooded vertebrates identified two related viruses from frogfish (Antennarius striatus) that represent a new genus Antennavirus in the family Arenaviridae (Order: Bunyavirales). Computational analyses were used to identify… read more here.

Keywords: class; computational analyses; fusion; zinc binding ... See more keywords