Skip to main content
. Author manuscript; available in PMC: 2013 Oct 25.
Published in final edited form as: J Phys Chem B. 2011 Feb 18;115(10):10.1021/jp1094504. doi: 10.1021/jp1094504

Table 3.

Estimated Calcium-binding affinities (kcal/mol) by MMPBSA

Complex Ligand Site II
Mean STD
SYS 1A None −113.2 10.83
SYS 1B Bepridil −118.26 15.61
SYS 2A None −67.69 5.83
SYS 2B Bepridil −108.95 20.13
SYS 3A None −133.65 15.49
SYS 3B Bepridil −125.16 11.18
SYS 4A None −115.76 9.43
SYS 4B Bepridil −108.86 20.96