Pore-molecule binding constants?
tc208 at damtp.cam.ac.uk
Wed Jan 14 06:53:41 EST 1998
Dear molecular modelers:
I am looking for some numbers.
I would like to know what is the averaged
energy (sum of interactions) of a single
water molecule in bulk at STP relative to a
typical, isolated water molecule inside a
model (eg Gramicidin, etc) single-file, or
nearly single-file pore. Ie, are pore
interior attractive (energetically) to a
water molecule relative to bulk
(where H-bonding occurs?)? Are the
energy differences large compared to kT?
How about the same for a small ion such as Na+?
Any specific example would be useful.
Does anyone know of references?
University of Cambridge
Cambridge CB3 9EW
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