Article ID Journal Published Year Pages File Type
5394956 Computational and Theoretical Chemistry 2012 9 Pages PDF
Abstract
► C-terminal domain motion of MurD studied by the off-path simulation (OPS) technique. ► “Out-of plane” C-terminal domain movement appears more energetically challenging. ► Guidelines for advanced virtual screening studies of novel MurD inhibitors.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
MurD ligase from Escherichia coli: C-terminal domain closing motion
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