Search Results - "Miller, Carrie S"

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  1. 1

    Phosphate Vibrations Probe Local Electric Fields and Hydration in Biomolecules by Levinson, Nicholas M, Bolte, Erin E, Miller, Carrie S, Corcelli, Steven A, Boxer, Steven G

    Published in Journal of the American Chemical Society (31-08-2011)
    “…The role of electric fields in important biological processes such as binding and catalysis has been studied almost exclusively by computational methods…”
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    Journal Article
  2. 2

    Web-based computational chemistry education with CHARMMing I: Lessons and tutorial by Miller, Benjamin T, Singh, Rishi P, Schalk, Vinushka, Pevzner, Yuri, Sun, Jingjun, Miller, Carrie S, Boresch, Stefan, Ichiye, Toshiko, Brooks, Bernard R, Woodcock, 3rd, H Lee

    Published in PLoS computational biology (01-07-2014)
    “…This article describes the development, implementation, and use of web-based "lessons" to introduce students and other newcomers to computer simulations of…”
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    Journal Article
  3. 3

    Comparing Classical Water Models Using Molecular Dynamics To Find Bulk Properties by Kinnaman, Laura J, Roller, Rachel M, Miller, Carrie S

    Published in Journal of chemical education (08-05-2018)
    “…A computational chemistry exercise for the undergraduate physical chemistry laboratory is described. In this exercise, students use the molecular dynamics…”
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    Journal Article
  4. 4

    Walsh Diagrams: Molecular Orbital and Structure Computational Chemistry Exercise for Physical Chemistry by Miller, Carrie S, Ellison, Mark

    Published in Journal of chemical education (09-06-2015)
    “…The increasing importance of computational chemistry in modern chemistry provides an impetus to increase the incorporation of computational exercises in the…”
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    Journal Article
  5. 5
  6. 6

    Web-Based Computational Chemistry Education with CHARMMing I: Lessons and Tutorial: e1003719 by Miller, Benjamin T, Singh, Rishi P, Schalk, Vinushka, Pevzner, Yuri, Sun, Jingjun, Miller, Carrie S, Boresch, Stefan, Ichiye, Toshiko, Brooks, Bernard R, Woodcock, H Lee

    Published in PLoS computational biology (01-07-2014)
    “…This article describes the development, implementation, and use of web-based "lessons" to introduce students and other newcomers to computer simulations of…”
    Get full text
    Journal Article
  7. 7

    Carbon-deuterium vibrational probes of gas- and condensed-phase amino acid structure and protonation state by Miller, Carrie S

    Published 01-01-2010
    “…Vibrational spectroscopy of proteins labeled with site-specific carbon-deuterium (C-D) bonds is emerging as a powerful experimental technique for investigating…”
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    Dissertation
  8. 8

    Carbon-deuterium vibrational probes of gas- and condensed-phase amino acid structure and protonation state by Miller, Carrie S

    “…Vibrational spectroscopy of proteins labeled with site-specific carbon-deuterium (C-D) bonds is emerging as a powerful experimental technique for investigating…”
    Get full text
    Dissertation
  9. 9