Molecular Dynamics and Metadynamics Simulations of the Cellulase Cel48F

<table>Free energy of dissociation for the wild-type (WT) and mutated Cel48F enzymes obtained from metadynamics. Black and gray bars indicate residues that interact with the entering (chain-I) and leaving (chain-II) sugar chains, respectively.</table>

Enzyme Research

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Figure 5

Figure 5: Molecular Dynamics and Metadynamics Simulations of the Cellulase Cel48F 