A multipole-based water potential with implicit polarization for biomolecular simulations

Walsh, T. R. and Liang, T. 2009, A multipole-based water potential with implicit polarization for biomolecular simulations, Journal of computational chemistry, vol. 30, no. 6, pp. 893-899, doi: 10.1002/jcc.21111.

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Title A multipole-based water potential with implicit polarization for biomolecular simulations
Author(s) Walsh, T. R.ORCID iD for Walsh, T. R. orcid.org/0000-0002-0233-9484
Liang, T.
Journal name Journal of computational chemistry
Volume number 30
Issue number 6
Start page 893
End page 899
Total pages 7
Publisher Wiley
Place of publication Hoboken, N. J.
Publication date 2009-04-30
ISSN 0192-8651
1096-987X
Keyword(s) ab initio
biomolecule
force-field
multipole
solvation
water
Language eng
DOI 10.1002/jcc.21111
Field of Research 030701 Quantum Chemistry
030704 Statistical Mechanics in Chemistry
Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences
HERDC Research category C1.1 Refereed article in a scholarly journal
Persistent URL http://hdl.handle.net/10536/DRO/DU:30057445

Document type: Journal Article
Collections: Institute for Frontier Materials
GTP Research
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