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. Author manuscript; available in PMC: 2019 Feb 1.
Published in final edited form as: Biochem Pharmacol. 2018 Jan 9;148:315–328. doi: 10.1016/j.bcp.2018.01.002

Table 1.

MD simulations of D2R bound to SB269652 derivatives.

Ligand Number of trajectories Total Simulation Length (μs)
MIPS1588 3 4.2
MIPS1576 2 3.9
MIPS1529 3 4.8
MIPS1546 3 4.8
MIPS1278 2 3.6
MIPS1556 2 4.8
Total 15 26.1