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After combining the protein and the ligands, complexes were solvated by transferable intermolecular potential 3P-TIP3P water model as an octahedral box around the protein with a 10 margin

Furthermore, a Hallmark gene set, which comprises 50 gene sets related to key tumor biological features, was downloaded from the MSigDB database

Abstract In recent years, the study of the interaction between gut microbiota and distant organs such as the heart, lungs, brain, and liver has become a hot topic in the field of gut microbiology