Molecular Skin Surface-Based Transformation Visualization between Biological Macromolecules

Table 4

Performance of MSS modeling algorithms with and without GMSSTF. In general, GMSSTF saves half of the computational time on generating intermediate MSS.

Ind.	Source	Target	Number of atoms	KVA w/o GMSSTF (sec.)	KVA with GMSSTF (sec.)	Speedup (times)	CSA w/o GMSSTF (sec.)	CSA with GMSSTF (sec.)	Speedup (times)
1	1J5F	100D	174930	6.943 s	2.982 s	1.32	67.512 s	30.309 s	1.23
2	100D	133D	143080	5.253 s	3.137 s	0.67	43.835 s	21.613 s	1.03
3	133D	101D	162352	6.779 s	2.897 s	1.34	56.763 s	33.142 s	0.71
4	101D	1AIE	186260	8.124 s	4.431 s	0.83	98.021 s	67.647 s	0.45
5	1AIE	1D63	191955	8.819 s	4.710 s	0.87	103.812 s	77.572 s	0.34
6	1D63	114D	279624	11.446 s	6.203 s	0.85	163.972 s	109.653 s	0.50
7	114D	161D	198102	8.921 s	3.857 s	1.31	98.219 s	37.113 s	1.65
8	161D	1XD7	358498	18.635 s	10.824 s	0.72	259.912 s	187.653 s	0.39
9	1XD7	1J5F	315231	15.357 s	7.741 s	0.98	197.446 s	108.730 s	0.82