Molecular dynamics simulation, free energy landscape and binding free energy computations in exploration the anti-invasive activity of amygdalin against metastasis

K Al-Khafaji, TT Tok - Computer Methods and Programs in Biomedicine, 2020 - Elsevier
Background and objective Historically, amygdalin has been used as alternative medicine or
in vitro and in vivo studies, but no single study exists which discusses the structural …
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Molecular dynamics simulation, free energy landscape and binding free energy computations in exploration the anti-invasive activity of amygdalin against metastasis.

K Al-Khafaji - Computer Methods and Programs in Biomedicine, 2020 - europepmc.org
Methods To get molecular level details of amygdalin inhibitory effects against the relevant
proteins; here the utilized tools are the following: the double docking, molecular dynamics …

Molecular dynamics simulation, free energy landscape and binding free energy computations in exploration the anti-invasive activity of amygdalin against metastasis

K Al-Khafaji, TT Tok - Computer methods and programs …, 2020 - pubmed.ncbi.nlm.nih.gov
Background and objective Historically, amygdalin has been used as alternative medicine or
in vitro and in vivo studies, but no single study exists which discusses the structural …