CherryPicker: An Algorithm for the Automated Parametrization of Large Biomolecules for Molecular Simulation

ResearchSpace/Manakin Repository

Show simple item record

dc.contributor.author Welsh, Ivan en
dc.contributor.author Allison, Jane en
dc.date.accessioned 2020-02-11T02:53:57Z en
dc.date.issued 2019-06-05 en
dc.identifier.citation Frontiers in Chemistry 7:10 pages Article number 400 05 Jun 2019 en
dc.identifier.issn 2296-2646 en
dc.identifier.uri http://hdl.handle.net/2292/49850 en
dc.language English en
dc.publisher FRONTIERS MEDIA SA en
dc.relation.ispartofseries FRONTIERS IN CHEMISTRY en
dc.rights Items in ResearchSpace are protected by copyright, with all rights reserved, unless otherwise indicated. Previously published items are made available in accordance with the copyright policy of the publisher. en
dc.rights.uri https://researchspace.auckland.ac.nz/docs/uoa-docs/rights.htm en
dc.rights.uri https://creativecommons.org/licenses/by/4.0/ en
dc.subject Science & Technology en
dc.subject Physical Sciences en
dc.subject Chemistry, Multidisciplinary en
dc.subject Chemistry en
dc.subject automated parametrization en
dc.subject fragment matching en
dc.subject biomolecules en
dc.subject molecular dynamics en
dc.subject graph theory en
dc.subject GROMOS force field en
dc.subject POTENTIAL-DERIVED CHARGES en
dc.subject FORCE-FIELD en
dc.subject CONFORMATIONAL DEPENDENCE en
dc.subject NUCLEIC-ACIDS en
dc.subject PROTEINS en
dc.subject PHASE en
dc.subject OPTIMIZATION en
dc.subject HYDRATION en
dc.subject DYNAMICS en
dc.subject SERVER en
dc.title CherryPicker: An Algorithm for the Automated Parametrization of Large Biomolecules for Molecular Simulation en
dc.type Journal Article en
dc.identifier.doi 10.3389/fchem.2019.00400 en
pubs.volume 7 en
dc.rights.holder Copyright: The authors en
pubs.author-url http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000470108300001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=6e41486220adb198d0efde5a3b153e7d en
pubs.publication-status Published en
dc.rights.accessrights http://purl.org/eprint/accessRights/OpenAccess en
pubs.subtype Article en
pubs.subtype Journal en
pubs.elements-id 775668 en
pubs.org-id Science en
pubs.org-id Biological Sciences en
pubs.number ARTN 400 en


Full text options

Find Full text

This item appears in the following Collection(s)

Show simple item record

https://creativecommons.org/licenses/by/4.0/ Except where otherwise noted, this item's license is described as https://creativecommons.org/licenses/by/4.0/

Share

Search ResearchSpace


Advanced Search

Browse