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. Author manuscript; available in PMC: 2013 Jan 12.
Published in final edited form as: J Phys Chem B. 2011 Dec 12;116(1):599–605. doi: 10.1021/jp209302e

Table 4.

Estimated free energies of crowding

ΔΔH ΔΔGsolv TΔΔS ΔΔG80/65 ΔΔGcrowding
BSA −21.3 (1.6) 22.9 (1.54) 0.3 (0.1) 4.2 (0.9) 6.1 (0.3)
Lys −194.0 (2.0) 186.2 (1.95) 0.5 (0.1) 4.3 (0.6) −3.0 (0.5)

[kcal/mol] with statistical errors given in parentheses; T=298K. Averages over the trajectories exclude the first 30 ns.