Molecular Skin Surface-Based Transformation Visualization between Biological Macromolecules

Table 5

Performance of MSS modeling algorithms on GPU (based on Chavent’s algorithm) with and without GMSSTF. GMSSTF again effectively improves the performance on GPU implementation of MSS.

Ind.	Source	Target	Number of atoms	Chavent’s alg. w/o GMSSTF (sec.)	Chavent’s alg. with GMSSTF (sec.)	Speedup (times)
1	1J5F	100D	174930	0.985 s	0.203 s	3.85
2	100D	133D	143080	0.612 s	0.108 s	4.67
3	133D	101D	162352	0.846 s	0.172 s	3.92
4	101D	1AIE	186260	1.032 s	0.274 s	2.77
5	1AIE	1D63	191955	1.146 s	0.258 s	3.44
6	1D63	114D	279624	1.555 s	0.404 s	2.85
7	114D	161D	198102	1.273 s	0.372 s	2.42
8	161D	1XD7	358498	2.321 s	0.638 s	2.64
9	1XD7	1J5F	315231	1.836 s	0.584 s	2.14