Chemistry Letters, Vol.48, No.4, 325-328, 2019
Possible Configurations of Apo-form Taste Receptor Type 1 (T1r) Studied by Microsecond-order Molecular Dynamics Simulation
The possible configurations of apo-form medaka fish taste receptor type 1, which is a heterodimer consisting of two types of monomers, were studied by a 1-mu s molecular dynamics (MD) simulation. The simulation sampled a variety of metastable states of each monomer in the apo form. It was found that representative metastable states of each monomer can be essential configurations for regulating the taste recognition upon ligand binding.