Application of the linear interaction energy method (LIE) to estimate the binding free energy values of Escherichia coli wild-type and mutant arginine repressor C-terminal domain (ArgRc)-L-arginine and ArgRc-L-citrulline protein-ligand complexes
Protein-ligand binding free energy values of wild-type and mutant C-terminal domain of Escherichia coli arginine repressor (ArgRc) protein systems bound to L-arginine or L-citrulline molecules were calculated using the linear interaction energy (LIE) method by molecular dynamics (MD) simulation. The...
| Main Authors: | , , |
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| Published: |
2018
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| Online Access: | http://dspace.uniten.edu.my/jspui/handle/123456789/9834 |