Browsing by Subject "Molecular docking"
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Article
Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations
(2008)A series of experimentally reported as well as computationally designed monoadducts and bisadducts of [60]fullerene analogues have been used in order to analyze the binding interactions between fullerene based inhibitors ...
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Article
Synthesis, characterization and biological activity of antimony(III) or bismuth(III) chloride complexes with dithiocarbamate ligands derived from thiuram degradation
(2014)Antimony(III) or bismuth(III) complexes of formulae {[SbCl(Me 2DTC)2]n} (1), {[BiCl(Me2DTC) 2]n} (2) and {[Bi(Et2DTC)3] 2} (3) (Me2DTCH = dimethyldithiocarbamate, C 3H7NS2 and Et2DTCH = diethyldithiocarbamate, C5H11NS2) ...