Table 3.

Interaction energies (Coulombic, van der Waals), H-bond counts and RMSD (w.r.t. frame zero in simulation) computed over the MD trajectory of the BCD–artesunate complex.

Sl. no.	Structure	Interaction energies (kcal/mol)	Binding energies (kcal/mol)
1.	Max. total energy	–	37.22
2.	Min. total energy	–	−40.72
3.	Mean. total energy	–	−4.89
4.	Max. Coulombic energy	−20.3	31.0
5.	Min. Coulombic energy	−1.3	−48.3
6.	Mean Coulombic energy	−39.0	−7.9
7.	Max. van der Waals energy	−30.9	33.3
8.	Min. van der Waals energy	−19.8	−21.7
9.	Mean. van der Waals energy	−37.3	3.1
10.	Max. no. of H bonds	5	–
11.	Min. no of H bonds	0	–
12.	Average no. of H bonds	2	–
13.	Max. RMSD	1.338	–
14.	Min. RMSD	2.171	–

Energy values in kcal/mol.