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MM-PBSA method of calculating binding energy

AD Arpita Devi
NC Nyshadham S. N. Chaitanya
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Binding free energy calculation was done in g_mmpbsa tool [51] for the last 10 ns of the production run. Results are calculated as average with standard deviation. The peptide aptamer in the aptamer–RBD complex is considered as a ligand.

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