Table 3.

The energy parameters (in kJ/mol) of complexes EGFR and VEGFR2 with 2a…e and ANP

The energy parameters, kJ/mol	ANP	2a	2b	2c	2d	2e
EGFR
FreE	− 6.0	− 28.1	− 25.8	− 22.8	− 22.3	− 24.5
Cntc	− 46.7	− 61.3	− 59.9	− 59.5	− 64.2	− 60.8
Hbnd	− 2.4	− 8.1	− 1.3	− 0.1	− 1.6	− 1.7
Bump	3.3	5.5	7.5	6.2	6.4	6.1
Int	9.2	7.6	3.3	4.1	4.3	6.7
VEGFR2
FreE	− 9.2	− 27.1	− 28.7	− 34.4	− 32.8	− 26.5
Cntc	− 53.1	− 73.1	− 62.9	− 63.8	− 73.9	− 67.7
Hbnd	− 2.6	− 2.0	− 1.1	− 0.2	− 1.5	− 1.6
Bump	3.6	9.7	8.5	6.4	10.6	10.4
Int	15.3	7.5	2.6	2.6	7.6	8.8

FreE the total energy of binding protein and related structure, Cntc the contact energy of interacting compounds (the related structure with protein), Hbnd the energy of hydrogen interactions, Bump the energy of steric clashes between protein and build-in structure, Int the energy of steric clashes between the atoms of build-in structure