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. 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 4.

The interaction among three components of troponin by MMPBSA in SYS 4.

Interaction (kcal/mol) Ligand Eele EvdW Esol ΔG
Mean STD Mean STD Mean STD Mean STD
TnC-TnI None −6151.4 181.15 −210.7 10.98 6106.96 166.21 −255.13 20.71
Bepridil −5730.3 153.77 −179.1 12.02 5690.81 153.29 −218.57 15.18
TnC-TnT None −935.82 83.36 −36.41 4.09 947.48 85.6 −24.75 9.09
Bepridil −1089.8 92.79 −41.34 5.31 1102.27 88.39 −28.89 11.34
TnT-TnI None −170.77 67.66 −203.3 7.62 211.07 66.76 −162.99 11.99
Bepridil −269.79 57.24 −212.4 7.71 317.54 57.6 −164.6 11.06