Testing the inter-operability of the CHARMM and SPC/Fw force-fields for conformational sampling

Desmond, Jasmine L., Rodger, P. Mark and Walsh, Tiffany R. 2013, Testing the inter-operability of the CHARMM and SPC/Fw force-fields for conformational sampling, Molecular simulation, vol. 40, no. 12, pp. 912-921, doi: 10.1080/08927022.2013.824574.

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Title Testing the inter-operability of the CHARMM and SPC/Fw force-fields for conformational sampling
Author(s) Desmond, Jasmine L.
Rodger, P. Mark
Walsh, Tiffany R.ORCID iD for Walsh, Tiffany R. orcid.org/0000-0002-0233-9484
Journal name Molecular simulation
Volume number 40
Issue number 12
Start page 912
End page 921
Total pages 10
Publisher Taylor & Francis
Place of publication Abingdon, England
Publication date 2013
ISSN 0892-7022
1029-0435
Keyword(s) force field
biomolecule
water
replica exchange force field
biomolecule
water
replica exchange
Language eng
DOI 10.1080/08927022.2013.824574
Field of Research 030406 Proteins and Peptides
030704 Statistical Mechanics in Chemistry
Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences
HERDC Research category C1 Refereed article in a scholarly journal
Copyright notice ©2013, Taylor & Francis
Persistent URL http://hdl.handle.net/10536/DRO/DU:30057427

Document type: Journal Article
Collection: Institute for Frontier Materials
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