Molecular Dynamics and Metadynamics Simulations of the Cellulase Cel48F

<table>Crystallographic structure of the cellulase Cel48F interacting with two sugar chains: −5 to −1 (chain-I) and +1 to +4 (chain-II). The yellow arrows indicate the directions of the entering and the leaving sugar chains across the tunnel.</table>

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Figure 1

Figure 1: Molecular Dynamics and Metadynamics Simulations of the Cellulase Cel48F 