Surface patterning for enhanced protein stability insights from molecular simulations

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dc.contributor.author Kumar, Avishek
dc.contributor.author Ghosh, Deepshikha
dc.contributor.author Radhakrishna, Mithun
dc.date.accessioned 2019-09-12T10:10:08Z
dc.date.available 2019-09-12T10:10:08Z
dc.date.issued 2019-09
dc.identifier.citation Kumar, Avishek; Ghosh, Deepshikha and Radhakrishna, Mithun, �Surface patterning for enhanced protein stability insights from molecular simulations�, The Journal of Physical Chemistry B, DOI: 10.1021/acs.jpcb.9b05663, Sep. 2019. en_US
dc.identifier.issn 1520-6106
dc.identifier.uri https://doi.org/10.1021/acs.jpcb.9b05663
dc.identifier.uri https://repository.iitgn.ac.in/handle/123456789/4818
dc.description.abstract Reduced activity of enzymes upon immobilization is a major challenge for the industrial use of enzymes. Enzyme-surface interactions and interactions between the immobilized enzymes are thought of as primary reasons for the reduced activity. In the current manuscript we study the thermal and structural stability of proteins on a patterned hydrophobic surface in the framework of a hydrophobic-polar (H-P)lattice model. Our results indicate that, while a homogeneous hydrophobic surface denatures the proteins, carefully patterned surfaces can dramatically increase the stability of adsorbed proteins. The size, shape and the distance between surface patterns play a significant role in determining the stability of proteins. When the spacing between the patterns is large, maximum stability is observed when the surface pattern is complementary to the exposed hydrophobic domain of the protein, while at smaller spacing, patterns with lower hydrophobicity stabilize the protein more compared to the complementary pattern. The findings from the paper can be rationalized to design novel enzyme-specific surfaces for immobilization with enhanced enzymatic activity
dc.description.statementofresponsibility by Avishek Kumar, Deepshikha Ghosh and Mithun Radhakrishna
dc.language.iso en_US en_US
dc.publisher American Chemical Society en_US
dc.title Surface patterning for enhanced protein stability insights from molecular simulations en_US
dc.type Article en_US
dc.relation.journal The Journal of Physical Chemistry B


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