Freeman, C.L., Harding, J.H., Quigley, D. et al. (1 more author) (2015) How does an amorphous surface influence molecular binding? - ovocleidin-17 and amorphous calcium carbonate. Physical Chemistry Chemical Physics, 17 (26). 17494 - 17500. ISSN 1463-9076
Abstract
Atomistic molecular dynamics simulations of dehydrated amorphous calcium carbonate interacting with the protein ovocleidin-17 are presented. These simulations demonstrate that the amorphisation of the calcium carbonate surface removes water structure from the surface. This reduction of structure allows the protein to bind with many residues, unlike on crystalline surfaces where binding is strongest when only a few residues are attached to the surface. Basic residues are observed to dominate the binding interactions. The implications for protein control over crystallisation are discussed.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © the Owner Societies 2015. This is an author produced version of a paper subsequently published in Physical Chemistry Chemical Physics. Uploaded in accordance with the publisher's self-archiving policy. |
Dates: |
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Institution: | The University of Sheffield |
Academic Units: | The University of Sheffield > Faculty of Engineering (Sheffield) > Department of Materials Science and Engineering (Sheffield) |
Depositing User: | Symplectic Sheffield |
Date Deposited: | 29 Jan 2016 15:03 |
Last Modified: | 05 Nov 2017 19:36 |
Published Version: | https://dx.doi.org/10.1039/c5cp00434a |
Status: | Published |
Publisher: | Royal Society of Chemistry |
Refereed: | Yes |
Identification Number: | 10.1039/c5cp00434a |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:90580 |