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Showing 1 to 1 of 1 for “"Residue interaction network"”.
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Insights into the Substrate Binding Specificity of Quorum-Quenching Acylase PVDQ
… methods, molecular dynamics (MD) simulations, residue interaction network analysis, and binding free energy calculations. The main findings are: firstly, results from pKa predictions support the observation that the pKa of the N-terminus of Serβ1 was depressed due to the surrounding residues. …