AMBER Archive (2005)

Subject: Re: AMBER: using SALTCON for human cell cytoplasm

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Sun Sep 18 2005 - 12:11:29 CDT

it might be more appropriate to consider ionic strength
rather than just concentration.

Kenley Barrett wrote:

> Has anyone used SALTCON when simulating a protein in the cytoplasm of
> a human cell? This seems like a tricky task because of the divalent
> cations and what I believe is a negative charge of intracellular
> fluid. If anyone has suggestion on how to appropriately represent
> cytoplasmic salt concentrations, I would be very grateful.
>
> Thanks very much for your help.
>
> Kenley Barrett 

-- 
===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor           Phone: (631) 632-1336
Center for Structural Biology Fax:   (631) 632-1555
Stony Brook University        Web:   http://comp.chem.sunysb.edu/carlos
Stony Brook, NY 11794-5115    E-mail: carlos.simmerling_at_stonybrook.edu
===================================================================

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