Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targets
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DOI: 10.1002/jcc.25052
Abstract: De novo design can be used to explore vast areas of chemical space in computational lead discovery. As a complement to virtual screening, from‐scratch construction of molecules is not limited to compounds in pre‐existing vendor… read more here.
Keywords: design strategies; customizable novo; dock application; novo design ... See more keywords