Name
Abstract | ||
|---|---|---|
A genetic algorithm (GA) is described which is used to compare thesolvent-accessible surfaces of two proteins or fragments of proteins,represented by a dot surface calculated using the Connolly algorithm. The GAis used to move one surface relative to the other to locate the most similarsurface region between the two. The matching process is enhanced by the useof the surface normals and shape terms provided by the Connolly program andalso by a simple hydrogen-bonding descriptor and an additional shapedescriptor. The algorithm has been tested in applications ranging from thecomparison of small surface patches to the comparison of whole proteinsurfaces, and it has performed correctly in all cases. Examples of the matchesare given and a quantitative analysis of the quality of the matches is per-formed. A number of possible future enhancements to the program are describedwhich would allow the GA to be used for more complex surface comparisons. |
Year | DOI | Venue |
|---|---|---|
1998 | 10.1023/A:1007966011516 | Journal of computer-aided molecular design |
Keywords | Field | DocType |
Protein structure,Molecular surfaces,Structure comparison,Binding sites,Evolutionary computation | Molecular surfaces,Computational chemistry,Evolutionary computation,Chemistry,Ranging,Bioinformatics,Genetic algorithm,Protein structure | Journal |
Volume | Issue | ISSN |
12 | 6 | 0920-654X |
Citations | PageRank | References |
15 | 2.05 | 1 |
Authors | ||
4 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Andrew R. Poirrette | 1 | 50 | 9.21 |
| Peter J. Artymiuk | 2 | 203 | 19.62 |
| David W. Rice | 3 | 41 | 7.33 |
| PETER WILLETT | 4 | 3421 | 592.93 |