… , lack the necessary automation features to … MutateX, a software to automate the prediction
of ΔΔGs associated with the systematic mutation of each residue within a protein, or protein …

… R denotes an ensemble average from a simulation of the … likely that the in silico saturation
mutagenesis predicts false positives … Although the intrinsic reactivity of the mutated protease is …

… This study performed saturation mutagenesis with analysis of … MutateX [67] is one example
of a devoted set of scripts to … in RosettaDDG, a Rosetta based pipeline for calculating folding …

… In addition to this study, a software pipeline able to scrutinize … of mutations on protein structural
stability MutateX tool [141] … Gibbs free energy upon in silico saturation mutagenesis. (ΔΔG)…

… Once structures or structural ensembles for the protein … In this step, we apply Mutatex and
RosettaDDGPrediction and … We then used our pipeline to perform model training, calculation of …

… an in-silico active site-saturated mutagenesis screening, … -saturated mutagenesis screening
pipeline, to identify protein … Mutated primers were designed with overlapping sequences …

… screenings of proteins and protein complexes. Indeed, in silico saturation mutagenesis can
guide … Often software such as FoldX, while fast and reliable, lack the necessary automation …

… The versatility of the integrated pipeline allows concurrent … , automating sequence
similarity-based structure search for … UniProtKB, and the canonical Ensemble and MANE Select 26 …

… shown on the predicted protein structure as sticks, colored … MutateX pipeline [46] saturation
scan protocol with FoldX 5.0 [47] to run a complete mutational scan of the resulting structure…

… fields provided a structural ensemble of reasonable quality … other sites of the protein when
mutated could impact on LC3B … 67] to perform in silico saturation mutagenesis using a Python …