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: | , , |
|---|---|
| Format: | Article |
| Published: |
Elsevier
2004
|
| Subjects: |