<div>Dear Sudha, </div>
<div> </div>
<div>There are no real programs that "docks" inorganic molecules. The best way to handle this is usually you place the molecule in the binding site, set up the forcefields (ie Charges on the molecule), you can add restraints if you know which residues/atoms it co-ordinates to and run MD simulation. </div>
<div> </div>
<div>regards,</div>
<div> </div>
<div>Sunil.<br><br> </div>
<div><span class="gmail_quote">On 19/05/2008, <b class="gmail_sendername"><a href="mailto:molmodel-request@oat.bio.indiana.edu">molmodel-request@oat.bio.indiana.edu</a></b> <<a href="mailto:molmodel-request@oat.bio.indiana.edu">molmodel-request@oat.bio.indiana.edu</a>> wrote:</span>
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<br><br>----------------------------------------------------------------------<br><br>Message: 1<br>Date: Sun, 18 May 2008 09:22:13 -0700 (PDT)<br>From: <a href="mailto:sudha.mrig@gmail.com">sudha.mrig@gmail.com</a><br>Subject: [Molecular-modelling] inorganic mol. docking<br>
To: <a href="mailto:molmodel@net.bio.net">molmodel@net.bio.net</a><br>Message-ID:<br> <<a href="mailto:58848cd9-2224-4dc4-b6f0-8124b1637fcf@w4g2000prd.googlegroups.com">58848cd9-2224-4dc4-b6f0-8124b1637fcf@w4g2000prd.googlegroups.com</a>><br>
Content-Type: text/plain; charset=ISO-8859-1<br><br>I want to dock an inorganic molecule like ZnSO4, MgOAc etc. with a<br>protein molecule. I could not locate any docking software which can<br>handle in organic molecule. If anyone can help me in this regard.<br>
Thanks<br><br>Sudha<br><br><br>------------------------------<br><br>_______________________________________________<br>Molmodel mailing list<br><a href="mailto:Molmodel@net.bio.net">Molmodel@net.bio.net</a><br><a href="http://www.bio.net/biomail/listinfo/molmodel">http://www.bio.net/biomail/listinfo/molmodel</a><br>
<br>End of Molmodel Digest, Vol 20, Issue 1<br>***************************************<br></blockquote></div><br>
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