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A reactive molecular dynamics simulation of the silica-water interface.
J Chem Phys. 2010 May 7;132(17):174704. doi: 10.1063/1.3407433.
J Chem Phys. 2010.
PMID: 20459180
Automated optimization of water-water interaction parameters for a coarse-grained model.
Fogarty JC, Chiu SW, Kirby P, Jakobsson E, Pandit SA.
Fogarty JC, et al.
J Phys Chem B. 2014 Feb 13;118(6):1603-11. doi: 10.1021/jp409545x. Epub 2014 Feb 4.
J Phys Chem B. 2014.
PMID: 24460506
Free PMC article.
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DCMS: A data analytics and management system for molecular simulation.
Kumar A, Grupcev V, Berrada M, Fogarty JC, Tu YC, Zhu X, Pandit SA, Xia Y.
Kumar A, et al. Among authors: fogarty jc.
J Big Data. 2015;2(1):9. doi: 10.1186/s40537-014-0009-5. Epub 2014 Nov 26.
J Big Data. 2015.
PMID: 26069879
Free PMC article.
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Atomically detailed lipid bilayer models for the interpretation of small angle neutron and X-ray scattering data.
Fogarty JC, Arjunwadkar M, Pandit SA, Pan J.
Fogarty JC, et al.
Biochim Biophys Acta. 2015 Feb;1848(2):662-72. doi: 10.1016/j.bbamem.2014.10.041. Epub 2014 Nov 25.
Biochim Biophys Acta. 2015.
PMID: 25448879
Free article.
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