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Automated docking of peptides and proteins by genetic algorithm

โœ Scribed by Junmei Wang; Tingjun Hou; Lirong Chen; Xiaojie Xu

Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
443 KB
Volume
45
Category
Article
ISSN
0169-7439

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โœฆ Synopsis

Genetic algorithm GA combined with random search has been applied to thoroughly search the appropriate associated sites for both peptide and protein complexes. Steric complementarity and energetic complementarity of ligand with its receptor have been separately considered in our two-stage automated docking. Eight complexes have been randomly selected from the Protein Data Bank to test our procedure. Conformations and orientations close to the crystallographically determined ลฝ . structures are obtained. For most cases, the smallest RMS root mean square of distance of the GA solutions is smaller than 1.0.

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