Elucidating Ligand Charge Effects in MR1 Cell-Surface Translocation Using Molecular Simulations. - Toshiki Fujii; Mitsugu Araki; Shigeyuki Matsumoto; Biao Ma; Takao Otsuka; Gert-Jan Bekker; Narutoshi Kamiya; Hiroaki Ohno; Shinsuke Inuki; Yasushi Okuno (J. Chem. Inf. Model., 2026)