Articles with "docking calculations" as a keyword



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Structural analysis, molecular dynamics and docking calculations of skin protective tripeptide and design, characterization, cytotoxicity studies of its PLGA nanoparticles

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Published in 2020 at "Journal of Molecular Structure"

DOI: 10.1016/j.molstruc.2019.127046

Abstract: Abstract The main purpose of current study is to analyze the structural behaviour of a skin protective tripeptide Gly-His-Lys (GHK) with anti-oxidant and anti-cancer properties, design and characterize its nanoformulation by experimental and spectroscopic techniques… read more here.

Keywords: molecular dynamics; protective tripeptide; ghk; docking calculations ... See more keywords
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Structural Basis of Artemisinin Binding Sites in Serum Albumin with the Combined Use of NMR and Docking Calculations

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Published in 2022 at "Molecules"

DOI: 10.3390/molecules27185912

Abstract: Artemisinin is known to bind to the main plasma protein carrier serum albumin (SA); however, there are no atomic level structural data regarding its binding mode with serum albumin. Herein, we employed a combined strategy… read more here.

Keywords: serum albumin; spectroscopy; docking calculations; structural basis ... See more keywords