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KAUST Core Labs high-performance computing cluster
High Performance Computing Cluster, supplied by KAUST Core Labs, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/high-performance+computing+cluster/hpc/pm40068824-100-31-35
Average 90 stars, based on 1 article reviews
high-performance computing cluster - by Bioz Stars, 2026-10
90/100 stars

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Article Title: Computational prediction for designing novel ketonic derivatives as potential inhibitors for breast cancer: A trade-off between drug likeness and inhibition potency.
Article Snippet: Unlike simple molecular screening, a combined hybrid computational methodology has been applied which includes quantum chemical methods, molecular docking, and molecular dynamics simulations to design some novel ketonic derivatives.. The current study contains the derivatives of an experimental ligand which are designed as a trade-off between drug likeness and inhibition strength.. We investigate the interaction of various newly designed ketonic compounds with the breast cancer receptor known as the Estrogen Receptor Alpha (ERα).

Article Title: The LightDock Server: Artificial Intelligence-powered modeling of macromolecular interactions.
Article Snippet: D.B .B . thanks the Suercomputing Laboratory at KAUST for technical support nd access to the HPC facilities.

Article Title: Novel coiled hollow fiber module for high-performance membrane distillation.
Article Snippet: Membrane distillation (MD) scale-up is challenged by ineffective heat recovery and the temperature polarization effect.. Direct contact membrane distillation (DCMD) modules suffer high thermal conduction losses due to feed flow direction along the length of the membrane, resulting in low thermal efficiency.. We propose a novel module design named coiled hollow fiber (CHF) to decouple the flow direction from the membrane surface in hollow fiber (HF) DCMD.

Article Title: Integrative phylogenomics sheds light on the diversity and evolution of fluorescence in coral-dwelling gall crabs.
Article Snippet: Only loci present in at least 50% of the samples were retained and combined into a single partitioned alignment for final analysis. (g) Phylogenomic analyses Phylogenomic analyses were conducted on the high-performance computing cluster at KAUST using maximum likelihood (ML) in IQ-TREE [59].

Article Title: Seasonal variability of Red Sea mixed layer depth: the influence of atmospheric buoyancy and momentum forcing
Article Snippet: We are grateful to the KAUST HPC team for their valuable support during the generation and processing of the model outputs.

Article Title: Contribution of surface and lateral forcing to the Arabian Gulf warming trend
Article Snippet: We are grateful to KAUST HPC team for their valuable support during the generation and processing the model outputs.

Article Title: Integrative phylogenomics sheds light on the diversity and evolution of fluorescence in coral-dwelling gall crabs
Article Snippet: Phylogenomic analyses were conducted on the high-performance computing cluster at KAUST using maximum likelihood (ML) in IQ-TREE [ ].

Article Title: GRP78 and cell-surface GRP78 self-association; In silico perspective.
Article Snippet: Cell surface glucose-regulated protein 78 (cs-GRP78) was previously reported as a receptor of many infectious agents including viruses, bacteria, and fungi.. The association of GRP78 inside the cell and at the cell surface is important to be studied to understand how the cell recognizes pathogens.. Combined bioinformatics tools, molecular docking, and dynamics simulation were utilized to study the homodimeric form of GRP78 at both aqueous and impeded inside the lipid bilayer membrane.



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