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. 2021 Feb 2;8:625437. doi: 10.3389/fchem.2020.625437

TABLE 2.

Residue-based free energy decomposition for Rac1-Tiam1 complex (kcal/mol).

Mutant VDW Electrostatic Polar solvation Nonpolar Total
Y32 −4.33 −7.22 8.50 −0.67 −3.73
N39 −3.58 −10.28 11.09 −0.51 −3.28
W56 −2.87 −2.53 1.77 −0.40 −4.04
Y64 −5.78 −2.09 4.02 −0.73 −4.59