Table I:

Simulation systems.

Name	Solvent	Starting Structure	4° Structure	Type	Duration [ns]
Bovine Expl.	TIP3P	2JOR	Mono	300 K	3×50
Human Expl.	TIP3P	Homology model	Mono	300 K	3×100
Human Impl.	GBSA	Homology model	Mono	300 K	3×100
Human REMD	GBSA	Homology model	Dimer	REMD	8×125
Human Minima	TIP3P	Homology model minima 1–7	Dimer	300 K	7×50
Human Ox REMD	GBSA	Homology model Met476 → Met(O)476	Dimer	REMD	8×125
Human Ox Minima	TIP3P	Homology model minima 1–3	Dimer	300 K	3×50