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A computational method for selecting short peptide sequences for inorganic material binding
Author(s) -
Nayebi Niloofar,
Cetinel Sibel,
Omar Sara Ibrahim,
Tuszynski Jack A.,
Montemagno Carlo
Publication year - 2017
Publication title -
proteins: structure, function, and bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.699
H-Index - 191
eISSN - 1097-0134
pISSN - 0887-3585
DOI - 10.1002/prot.25356
Subject(s) - biomineralization , calcite , in silico , context (archaeology) , peptide , computational biology , computer science , combinatorial chemistry , chemistry , nanotechnology , engineering , materials science , biochemistry , biology , gene , mineralogy , chemical engineering , paleontology
Discovering or designing biofunctionalized materials with improved quality highly depends on the ability to manipulate and control the peptide‐inorganic interaction. Various peptides can be used as assemblers, synthesizers, and linkers in the material syntheses. In another context, specific and selective material‐binding peptides can be used as recognition blocks in mining applications. In this study, we propose a new in silico method to select short 4‐mer peptides with high affinity and selectivity for a given target material. This method is illustrated with the calcite (104) surface as an example, which has been experimentally validated. A calcite binding peptide can play an important role in our understanding of biomineralization. A practical aspect of calcite is a need for it to be selectively depressed in mining sites.