Tomá Kuba

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The Cornell et al. empirical potential (Cornell et al., J Am Chem Soc 1995, 117, 5197) was modified by the introduction of nonplanarity of the amino group in guanine, adenine, and cytosine. Reparameterization was performed for 12 bond parameters of the amino group (three valence angles (C-N-H(1), C-N-H(2), and H(1)-N-H(2)) and the improper dihedral angle at(More)
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