[gmx-users] binding_affinity

Justin A. Lemkul jalemkul at vt.edu
Tue Apr 19 14:50:39 CEST 2011

Justin A. Lemkul wrote:
> shahid nayeem wrote:
>> Hi Justin
>> Thanks a lot. What is the purpose of adding 100mM NaCl. Is it
>> mimicking physiological condition.
> More of a hybrid of physiological and in vitro conditions.  Please see 
> the referenced paper for more details.

...and again, please don't necessarily conclude that just because someone did 
this for a tutorial that you should inherently be doing it for your system.  The 
tutorial is but one example of a workflow, derived from my own specific work. 
Construct a model that is most appropriate to your purposes.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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