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SAMPDI: The effect of single amino acid substitution on the binding free energy of protein-DNA complex

Professor Emil Alexov Group

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We are providing here a protein-DNA complex pdb file 1b3t.pdb for download and use as an example use case for SAMPDI webserver. User can use it as an input PDB format structure file as shown below and then type the chain ID where mutation occurs, the position (residue number in PDB) of the mutation, the wild-type residue name and mutant residue name.

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After specifying all required parameters, user can click on the Submit button to make the predictions. The running process takes about 10 minutes and the typical output for the example case is shown below.

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