Towards an Enrichment Optimization Algorithm (EOA)‐based Target Specific Docking Functions for Virtual Screening
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DOI: 10.1002/minf.202200034
Abstract: Docking‐based virtual screening (VS) is a common starting point in many drug discovery projects. While ligand‐based approaches may sometimes provide better results, the advantage of docking lies in its ability to provide reliable ligand binding… read more here.
Keywords: enrichment optimization; virtual screening; target specific; eoa ... See more keywords
CFD‐ and Bernoulli‐based pressure drop estimates: A comparison using patient anatomies from heart and aortic valve segmentation of CT images
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DOI: 10.1002/mp.12203
Abstract: Purpose An aortic valve stenosis is an abnormal narrowing of the aortic valve (AV). It impedes blood flow and is often quantified by the geometric orifice area of the AV (AVA) and the pressure drop… read more here.
Keywords: eoa; segmentation; aortic valve; area ... See more keywords
Antioxidant and Antimicrobial Activities of Chemically-Characterized Essential Oil from Artemisia aragonensis Lam. against Drug-Resistant Microbes
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DOI: 10.3390/molecules27031136
Abstract: This study investigated the chemical composition, antioxidant and antimicrobial activity of essential oil extracted from Artemisia aragonensis Lam. (EOA). Hydrodistillation was employed to extract EOA. Gas chromatography with flame ionization detection (GC-FID) and gas chromatography-mass… read more here.
Keywords: antioxidant antimicrobial; essential oil; artemisia; activity ... See more keywords