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DDGWizard: Integration of feature calculation resources for analysis and prediction of changes in protein thermostability upon point mutations

Fig 2

The feature calculation pipeline of DDGWizard.

The pipeline requires the input of raw data (PDB ID, amino acid substitution, chain ID, pH, temperature, and value). It uses the PDB ID to download the wild-type protein structure file from the RCSB PDB database [46], employs Modeller [72] to construct the mutant protein structure file, and calls a series of computational resources [18,32–42] to calculate features, ultimately outputting the dataset containing 1,547 calculated features.

doi: https://doi.org/10.1371/journal.pcbi.1013783.g002