Table 1.

Contributions of electrostatic and van der Waals energies to interaction energy at minor and major grooves.

	Electrostatic (kcal/mol)	vdW (kcal/mol)	Interaction En. (kcal/mol)
r25
Minor Groove	−2787.17	−17.5468	−2804.72
Major Groove	−2344.03	−16.5974	−2360.63
r35
Minor Groove	−937.139	−0.642	−937.139
Major Groove	−624.75	−0.449	−625.199
r45
Minor Groove	−140.382	−0.028	−140.410
Major Groove	−28.196	−0.0016	−28.194