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Description

To determine whether oxidation-reduction reactions involve glutathione or its anions, we created CASSCF(14, 13) models for geometric optimization, similar to those shown in Fig

Ahmad Jamil H, Abdul Karim N

We further carried out 60-ns MD simulations with 3 replicas for PV2-C23pAcF and PV2-C96pAcF variants to understand the effect of pAcF incorporation on protein conformation, and the RMSD, RMSF, radius of gyration, the existence of hydrogen bonds and salt bridges were analyzed (Figs