Adaptive Modelling of Mutated FMO3 Enzyme Could Unveil Unexplored Scenarios Linking Variant Haplotypes to TMAU Phenotypes.
Alibrandi S, Nicita F, Donato L, Scimone C, Rinaldi C, D'Angelo R, Sidoti A.
Alibrandi S, et al.
Molecules. 2021 Nov 22;26(22):7045. doi: 10.3390/molecules26227045.
Molecules. 2021.
PMID: 34834137
Free PMC article.
Detected variants were, subsequently, deeply statistically and in silico characterized to determine their possible effects on the enzyme activity. To achieve this goal, a docking prediction for TMA/FMO3 and an unbinding pathway study were performed. ...CONCLUSIONS: Even if …
Detected variants were, subsequently, deeply statistically and in silico characterized to determine their possible effects on the enzyme act …