From: Roman Petrenko (rpetrenko_at_gmail.com)
Date: Fri Sep 18 2009 - 15:31:18 CDT
Eduardo,
the point was to study protein/surface interaction of a protein with
surfaces that have different hydrophobicity. I was wandering whether
force-field parameters exist for those three surfaces.
P.S. thanks for pointing to the Si-wafer f.f., are there graphine and mica f.f.?
On Sat, Sep 12, 2009 at 4:31 PM, Eduardo Cruz-Chu <chucruz_at_ks.uiuc.edu> wrote:
>> does anyone have an experience simulating pyrolytic graphite, Si-water
>> and mica surfaces?
>
> Indeed, we published a silica-water paper in 2006. The reference is:
>
> Water-silica force field for simulating nanodevices. Eduardo R. Cruz-Chu,
> Aleksei Aksimentiev, and Klaus Schulten. Journal of Physical Chemistry B,
> 110:21497-21508, 2006.
>
>> These three are chosen by their varying
>> hydrophobicity when in contact with a water droplet?
>
> please, refine your question. It is not clear what you are asking.
>
>
> On Thu, 10 Sep 2009, Roman Petrenko wrote:
>>
>> Dear all,
>> does anyone have an experience simulating pyrolytic graphite, Si-water
>> and mica surfaces? These three are chosen by their varying
>> hydrophobicity when in contact with a water droplet?
>>
>> --
>> Roman Petrenko
>> Physics Department
>> University of Cincinnati
>>
>
-- Roman Petrenko Physics Department University of Cincinnati
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