Title : Molecular dynamics simulation, binding free energy calculation and unbinding pathway analysis on selectivity difference between FKBP51 and FKBP52: Insight into the molecular mechanism of isoform selectivity.

Pub. Date : 2018 Jan

PMID : 29023988






1 Functional Relationships(s)
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1 However, the structural conservation of the FK1 domains between FKBP51 and FKBP52 make it difficult to obtain satisfactory selectivity in FK506-based drug design. Tacrolimus FKBP prolyl isomerase 4 Homo sapiens