Table 3.
Bulk | Pocket-U | Difference | |
---|---|---|---|
System | (kcal∕mol) | (kcal∕mol) | (kcal∕mol) |
URM | −9.6(.2) | −15.1(.1) | −5.5 (.2) |
UBK | −9.2(.2) | −14.6(.1) | −5.5 (.3) |
Bulk | Pocket-U | Difference | |
---|---|---|---|
System | (kcal∕mol) | (kcal∕mol) | (kcal∕mol) |
URM | −9.6(.2) | −15.1(.1) | −5.5 (.2) |
UBK | −9.2(.2) | −14.6(.1) | −5.5 (.3) |