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Several models for the structure of SLO and the yet unresolved fragments of PDI were generated using modeller [38] and I-TASSER [39] These models were manually refined prior to analysis for a common structural determinant.
The models were manually colored: yellow was choose for the bone, red color lines were painted along the fractured fragments and white color was distributed over the joint surface area (where visible) (Fig. 1) under the supervision of a radiologist.
These models were manually adjusted in order to optimize the geometry of certain regions.
Intronless gene models were manually checked to verify that a valid signal peptide was predicted.
Subsequently the models were manually built by using COOT [28], followed by refinement using CNS [29].
Models were manually refined with ViTO [23] using the sequence alignment of AmVKR, AgVKR, TcVKR, SpVKR and SmVKR.
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Then, each reaction in models was manually checked and corrected, thus making it comparable with the published GSMM model.
The FE models are manually tuned to reduce the difference between the natural frequencies of the analytical solutions and the natural frequencies of the FE model calculations, respectively.
Gene models are manually checked for errors such as in-frame stops, very short proteins, splits, merges, etc.
Gene models are manually interpreted from the alignments by annotators using the otterlace annotation interface (32).
A large proportion of models are manually curated to ensure reproducibility of simulation results.
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