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...
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| Main Authors: | , , |
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| Format: | Article |
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Elsevier
2004
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| Online Access: | http://eprints.um.edu.my/4943/ http://ac.els-cdn.com/S1093326303001748/1-s2.0-S1093326303001748-main.pdf?_tid=f48b09ee-2e02-11e2-b396-00000aab0f27&acdnat=1352860280_6e8c1452757e9f9add3dc0f153250bef |
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