Table 1 Parameters for non-bonded potential energy boosting

From: Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84

Repeat

Vmax (kcal/mol)

Vmin (kcal/mol)

Vavg (kcal/mol)

σV (kcal/mol)

1

43.0303

−98.2983

−29.7762

7.9339

2

39.9781

−92.442

−38.1154

8.856

3

128.9275

−95.8721

−31.8457

7.4627

4

123.1266

−92.8427

−33.1884

7.9531

5

32.2203

−88.7339

−33.5473

8.6824

6

53.8041

−101.869

−40.5985

8.3789

7

97.4856

−95.6821

−27.5663

6.0549

8

88.0037

−90.6698

−31.9644

7.6115

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