Fig. 1: One substrate-many enzymes screening (OSMES) workflow. | Nature Communications

Fig. 1: One substrate-many enzymes screening (OSMES) workflow.

From: One substrate many enzymes virtual screening uncovers missing genes of carnitine biosynthesis in human and mouse

Fig. 1: One substrate-many enzymes screening (OSMES) workflow.The alternative text for this image may have been generated using AI.

Scheme of OSMES. The pipeline consists of 5 main steps performed automatically: (i) AlphaFold monomeric models for selected proteins are retrieved; (ii) oligomeric structures are determined with SWISS-MODEL templates; (iii) the substrate is prepared for docking and (iv) used to determine the gridbox size at the active site; (v) finally, the pipeline performs docking analysis and the results are ranked using different methods.

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