[gmx-users] possible bug in posre
jalemkul at vt.edu
Wed Aug 30 16:55:04 CEST 2017
On 8/30/17 10:46 AM, Sergio Manzetti wrote:
> That means intercalation is affected directly by this, and the results will have no meaningful physical sense. Has anyone succssfully simulated intercalation in the DNA by some molecules without a method that disrupts the physicochemical energies of the DNA and the intercalator?
Sure, there are papers about this. Docking, pulling simulations, etc.
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
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jalemkul at vt.edu | (540) 231-3129
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