Metal Ion and Protein binding

From: Gaurav Sharma (
Date: Thu Oct 13 2005 - 12:23:23 CDT

Hi All,

I would like to study the mechanism of metal ion binding to proteins
using MD simulations. To my understanding NAMD is not capable of
simulating such reactions since it cannot account for the breaking or
formation of bonds.

Can someone suggest any other software/tool through which I can simulate
such a system.

Thanks for your help.

Gaurav Sharma
Computational BioNano Robotics Lab
Northeastern University
Boston, MA - 02115
Tel: 617-373-2970 

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