Yin Shuangye, Proctor Elizabeth A, Lugovskoy Alexey A, Dokholyan Nikolay V
Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill, Genetics Medicine, 120 Mason Farm Road, Chapel Hill, NC 27599-7260, USA.
Proc Natl Acad Sci U S A. 2009 Sep 29;106(39):16622-6. doi: 10.1073/pnas.0906146106. Epub 2009 Sep 17.
We develop a rapid and efficient method for the comparison of protein local surface similarities using geometric invariants (fingerprints). By combining fast fingerprint comparison with explicit alignment, we successfully screen the entire Protein Data Bank for proteins that possess local surface similarities. Our method is independent of sequence and fold similarities, and has potential application to protein structure annotation and protein-protein interface design.
我们开发了一种快速有效的方法，用于使用几何不变量（指纹）比较蛋白质局部表面相似性。通过将快速指纹比较与显式比对相结合，我们成功地在整个蛋白质数据库中筛选出具有局部表面相似性的蛋白质。我们的方法独立于序列和折叠相似性，在蛋白质结构注释和蛋白质-蛋白质界面设计方面具有潜在应用。
