[gmx-users] how to calculate kinetic constant?

[David van der Spoel]

On 2013-10-04 12:30, Albert wrote:
> Hello:
>
>   I've submit a simulation in gromacs, and I am just wondering how can
> we calculate kinetic constant for the ligand bound/ubound process?
>
> thanks a lot
> Albert
Check out our recent paper and references therein:

http://pubs.acs.org/doi/abs/10.1021/ct400404q

-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se