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Perspectives

Investigation of solvent effect and NMR shielding tensors of p53 tumor-suppressor gene in drug design

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Pages 213-218 | Published online: 25 Jan 2011

Figures & data

Figure 1 Molecular structure of CUA.

Figure 1 Molecular structure of CUA.

Table 1 Nuclear magnetic resonance parameters of nitrogen, oxygen, and phosphorus atoms involved in hydrogen-bonding network of CUA codon in different solvent media at the level of RHF/6–31G theory

Table 2 The Hartree–Fock calculations of thermochemical parameters of CUA in different solvent media at 3 different temperatures

Figure 2 Relative energies (Erelatives) of CUA sequence versus ɛ and Ln (1/ɛ) in different solvent media.

Figure 2 Relative energies (Erelatives) of CUA sequence versus ɛ and Ln (1/ɛ) in different solvent media.

Figure 3 Temperature dependence of relative Gibbs free energies (ΔGrelatives) of CUA sequence in different solvent media.

Figure 3 Temperature dependence of relative Gibbs free energies (ΔGrelatives) of CUA sequence in different solvent media.