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dc.contributor.authorStaneva, Iskraen
dc.contributor.authorFrenkel, Daanen
dc.date.accessioned2015-10-27T12:15:55Z
dc.date.available2015-10-27T12:15:55Z
dc.date.issued2015-11-20en
dc.identifier.citationJournal of Chemical Physics (2015) 143:194511en
dc.identifier.issn0021-9606
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/252407
dc.description.abstractWe use a coarse-grained model for generic proteins to investigate the formation of structures with P2₁2₁2₁ symmetry, the most prevalent space group of protein crystals. To account for the string directionality of protein-protein interactions that has been suggested by previous studies, we represent proteins as spherical particles that are covered by a large number of small, attractive ‘patches’ that are randomly distributed on the protein surface. Attractive interactions between two proteins can then involve several pairs of patches interacting simultaneously. The results obtained with this model suggest that the factors influencing whether a unit cell will produce a crystal capable of growing are that particles attach to the previous layers with enough bonds and that the values of these interactions have a small spread, rather than merely being the unit cell with the lowest energy. We subsequently study the impact of interactions that are not part of crystalline contacts, and find that when these non-specific interactions are few and weaker than the crystal contacts, both nucleation and growth are successful. If the proportion of non-specific interactions is increased, crystal growth is still possible in a small range of model temperature.
dc.description.sponsorshipThis work was supported by EPSRC/NSF World Materials Network grant EP/J018619/1 and EPSRC Programme Grant EP/I001352/1.
dc.languageEnglishen
dc.language.isoenen
dc.publisherAIP
dc.titleThe role of non-specific interactions in a patchy model of protein crystallizationen
dc.typeArticle
dc.description.versionThis is the author accepted manuscript. The final version is available from AIP via http://dx.doi.org/10.1063/1.4935369. Copyright (2015) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.en
prism.publicationDate2015en
prism.publicationNameJournal of Chemical Physicsen
prism.startingPage194511
prism.volume143en
dc.rioxxterms.funderEPSRC
dc.rioxxterms.projectidEP/J018619/1
dc.rioxxterms.projectidEP/I001352/1
rioxxterms.versionofrecord10.1063/1.4935369en
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserveden
rioxxterms.licenseref.startdate2015-11-20en
dc.contributor.orcidFrenkel, Daan [0000-0002-6362-2021]
dc.identifier.eissn1089-7690
rioxxterms.typeJournal Article/Reviewen
pubs.funder-project-idEPSRC (EP/I001352/1)
pubs.funder-project-idEPSRC (EP/J018619/1)


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