Force field parameters for Fe2+4S2-4 clusters of dihydropyrimidine dehydrogenase, the 5-fluorouracil cancer drug deactivation protein: a step towards in silico pharmacogenomics studies
Maureen Bilinga Tendwa, Lorna J. Chebon, Kevin Alan Lobb, Thommas Mutemi Musyoka, Özlem Taştan Bishop
The paper derives AMBER force field parameters for Fe2+4S2-4 clusters in DPD enzyme to improve in silico studies of 5-FU drug metabolism and toxicity.
Molecules · May 14, 2021Peer-reviewedBioinformatics