Full Paper

MoleculaRnetworks: An integrated graph theoretic and data mining tool to explore solvent organization in molecular simulation†‡

  1. Barbara Logan Mooney1,*,
  2. L.René Corrales1,
  3. Aurora E. Clark2,*

Article first published online: 25 JAN 2012

DOI: 10.1002/jcc.22917

Issue

Journal of Computational Chemistry

Journal of Computational Chemistry

Volume 33, Issue 8, pages 853–860, 30 March 2012

Additional Information

How to Cite

Mooney, B. L., Corrales, L.René. and Clark, A. E. (2012), MoleculaRnetworks: An integrated graph theoretic and data mining tool to explore solvent organization in molecular simulation. J. Comput. Chem., 33: 853–860. doi: 10.1002/jcc.22917

Author Information

  1. 1

    Department of Chemistry and Biochemistry, University of Arizona, Tucson, AZ 87521

  2. 2

    Department of Chemistry, Washington State University, Pullman, WA 99164

*Department of Chemistry and Biochemistry, University of Arizona, Tucson, AZ 87521

  1. †

    How to cite this article: B. L. Mooney, L. R. Corrales, A. E. Clark, J. Comput. Chem. 2012, 33, 853-860. DOI: 10.1002/jcc.22917

  2. ‡

    This article was published online on 25 January 2012 with an incorrect hyperlink, which was corrected on 23 February 2012.

Publication History

  1. Issue published online: 21 FEB 2012
  2. Article first published online: 25 JAN 2012
  3. Manuscript Accepted: 3 DEC 2011
  4. Manuscript Received: 17 OCT 2011

Funded by

  • US Department of Energy, Basic Energy Sciences, Heavy Element program. Grant Number: DE-SC0001815

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