[gmx-users] Intercalation DNA-Ethidium bromide
hovakim_grabski at yahoo.com
Thu Sep 27 08:15:17 CEST 2012
Dear Gromacs users,
I've been running several simulations involving 26 base pairs B-DNA and ethidium bromide.
I used Autodock vina for finding inital binding sites and found one in the small groove.
After that I ran a simulation of 14 ns.
When I check the rmsd of Ethidium Bromide,there's a sudden change.
Is there any chance I could see intercalation?
P.S. Or I should create an artifical gap between dna bases and then set up a simulation?
Thanks in advance,
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