AmberMDrun: A Scripting Tool for Running Amber MD in an Easy Way
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DOI: 10.3390/biom13040635
Abstract: MD simulations have been widely applied and become a powerful tool in the field of biomacromolecule simulations and computer-aided drug design, etc., which can estimate binding free energy between receptor and ligand. However, the inputs… read more here.
Keywords: scripting tool; running amber; ambermdrun scripting; amber easy ... See more keywords